N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-N-[4-(propan-2-yl)phenyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-N-[4-(propan-2-yl)phenyl]-beta-alaninamide
N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-N-[4-(propan-2-yl)phenyl]-beta-alaninamide
Compound characteristics
| Compound ID: | E977-0959 |
| Compound Name: | N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-N-[4-(propan-2-yl)phenyl]-beta-alaninamide |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C22 H27 N3 O4 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CCNS(c1ccc2c(CCCC(N2)=O)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1486 |
| logD: | 3.1485 |
| logSw: | -3.5487 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.139 |
| InChI Key: | PMSZQTPLYOBDIO-UHFFFAOYSA-N |