N-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide
Chemical Structure Depiction of
N-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide
N-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide
Compound characteristics
| Compound ID: | E977-0911 |
| Compound Name: | N-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide |
| Molecular Weight: | 484.62 |
| Molecular Formula: | C25 H32 N4 O4 S |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(CCNS(c1ccc2c(CCCC(N2)=O)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7481 |
| logD: | 2.748 |
| logSw: | -3.4463 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.342 |
| InChI Key: | YNYOQRAVFKPQLK-UHFFFAOYSA-N |