N-(3-chloro-4-methylphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
N-(3-chloro-4-methylphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E977-0920 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 435.93 |
| Molecular Formula: | C20 H22 Cl N3 O4 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CCNS(c1ccc2c(CCCC(N2)=O)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2006 |
| logD: | 3.1993 |
| logSw: | -3.32 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.139 |
| InChI Key: | MOCXEACITIDZRW-UHFFFAOYSA-N |