| CAS Number | 1461708-07-5 |
| Catalog Number | AG01A6AE |
| Chemical Name | Ethyl 2-[(4-{[(tert-butoxy)carbonyl]amino}phenyl)methyl]-1,3-thiazole-4-carboxylate |
| IUPAC Name | ethyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-1,3-thiazole-4-carboxylate |
| InChI | InChI=1S/C18H22N2O4S/c1-5-23-16(21)14-11-25-15(20-14)10-12-6-8-13(9-7-12)19-17(22)24-18(2,3)4/h6-9,11H,5,10H2,1-4H3,(H,19,22) |
| InChI Key | ZDHIORWQXDEYRN-UHFFFAOYSA-N |
| MDL Number | MFCD25371767 |
| Molecular Formula | C18H22N2O4S |
| Molecular Weight | 362.4433 |
| SMILES | CCOC(=O)C1=CSC(=N1)CC2=CC=C(C=C2)NC(=O)OC(C)(C)C |
| Synonyms | ethyl 2-[(4-{[(tert-butoxy)carbonyl]amino}phenyl)methyl]-1,3-thiazole-4-carboxylate,
1461708-07-5,
ZINC95348130,
AKOS033501951,
MCULE-3868307159,
NE43274,
Z1649677778,
|
| Complexity | 459 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 362.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 362.444g/mol |
| Monoisotopic Mass | 362.13g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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