N-[(4-methylphenyl)methyl]-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
N-[(4-methylphenyl)methyl]-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E977-0898 |
| Compound Name: | N-[(4-methylphenyl)methyl]-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C21 H25 N3 O4 S |
| Smiles: | Cc1ccc(CNC(CCNS(c2ccc3c(CCCC(N3)=O)c2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9341 |
| logD: | 1.934 |
| logSw: | -2.834 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.462 |
| InChI Key: | RCFFBFRDTBKNFF-UHFFFAOYSA-N |