| CAS Number | 1354547-26-4 |
| Catalog Number | AG00IWRK(AGN-PC-0WAZNZ) |
| Chemical Name | Methyl 4-((8-chloro-2-methyl-1h,2h,3h,4h,5h-pyrido[4,3-b]indol-5-yl)methyl)benzoate |
| IUPAC Name | methyl 4-[(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzoate |
| InChI | InChI=1S/C21H21ClN2O2/c1-23-10-9-20-18(13-23)17-11-16(22)7-8-19(17)24(20)12-14-3-5-15(6-4-14)21(25)26-2/h3-8,11H,9-10,12-13H2,1-2H3 |
| InChI Key | FKPJUKZMKMASRY-UHFFFAOYSA-N |
| MDL Number | MFCD22573514 |
| Molecular Formula | C21H21ClN2O2 |
| Molecular Weight | 368.8566 |
| SMILES | ClC4(=CC2(=C(N(CC1(=CC=C(C(=O)OC)C=C1))C3(=C2CN(C)CC3))C=C4)) |
| Synonyms | methyl 4-({8-chloro-2-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-yl}methyl)benzoate,
1354547-26-4,
KS-000025IK,
ZX-RL000612,
MFCD22573514,
ZINC80943337,
AKOS015996892,
GG-0209,
OR303104,
|
| Complexity | 508 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 368.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 368.861g/mol |
| Monoisotopic Mass | 368.129g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 34.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number