AG009JIX

Name: Ethyl 3-(2-((4-carbamoylphenylamino)methyl)-1-methyl-n-(pyridin-2-yl)-1h-benzo[d]imidazole-5-carboxamido)propanoate
Brand: Angene Chemical
SKU: AG009JIX

1422435-41-3 | Ethyl 3-(2-((4-carbamoylphenylamino)methyl)-1-methyl-n-(pyridin-2-yl)-1h-benzo[d]imidazole-5-carboxamido)propanoate

Chemical structure of Ethyl 3-(2-((4-carbamoylphenylamino)methyl)-1-methyl-n-(pyridin-2-yl)-1h-benzo[d]imidazole-5-carboxamido)propanoate, CAS 1422435-41-3

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CAS Number	1422435-41-3
Catalog Number	AG009JIX(AGN-PC-0WP0YB)
Chemical Name	Ethyl 3-(2-((4-carbamoylphenylamino)methyl)-1-methyl-n-(pyridin-2-yl)-1h-benzo[d]imidazole-5-carboxamido)propanoate
IUPAC Name	ethyl 3-[[2-[(4-carbamoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
InChI	InChI=1S/C27H28N6O4/c1-3-37-25(34)13-15-33(23-6-4-5-14-29-23)27(36)19-9-12-22-21(16-19)31-24(32(22)2)17-30-20-10-7-18(8-11-20)26(28)35/h4-12,14,16,30H,3,13,15,17H2,1-2H3,(H2,28,35)
InChI Key	ATPVLOGCHWOVKJ-UHFFFAOYSA-N
MDL Number	MFCD27996084
Molecular Formula	C27H28N6O4
Molecular Weight	500.5490
SMILES	CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(n2C)CNc1ccc(cc1)C(=O)N)c1ccccn1
Synonyms	1422435-41-3, ethyl 3-(2-((4-carbamoylphenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate, SCHEMBL14696907, STL450915, ZINC205387696, ACN-027497, CS-W004359, ethyl 3-(2-(((4-carbamoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate, ethyl N-[(2-{[(4-carbamoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alaninate, Dabigatran Impurity 3,

Complexity	789
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	500.217g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	500.559g/mol
Monoisotopic Mass	500.217g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	132A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited