N-[2-(4-methylphenyl)ethyl]-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[2-(4-methylphenyl)ethyl]-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
N-[2-(4-methylphenyl)ethyl]-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E977-0938 |
| Compound Name: | N-[2-(4-methylphenyl)ethyl]-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C22 H27 N3 O4 S |
| Smiles: | Cc1ccc(CCNC(CCNS(c2ccc3c(CCCC(N3)=O)c2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7088 |
| logD: | 1.7087 |
| logSw: | -2.5132 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.303 |
| InChI Key: | XKUICPIIGPKCCP-UHFFFAOYSA-N |