4-{[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]methyl}-N-[4-(propan-2-yl)phenyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]methyl}-N-[4-(propan-2-yl)phenyl]cyclohexane-1-carboxamide
4-{[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]methyl}-N-[4-(propan-2-yl)phenyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | G017-0331 |
| Compound Name: | 4-{[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]methyl}-N-[4-(propan-2-yl)phenyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 497.66 |
| Molecular Formula: | C27 H35 N3 O4 S |
| Smiles: | CC(C)c1ccc(cc1)NC(C1CCC(CC1)CNS(c1ccc2c(CCCC(N2)=O)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6971 |
| logD: | 4.6971 |
| logSw: | -4.4068 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.432 |
| InChI Key: | NVNLSPFRTWSJET-UHFFFAOYSA-N |