N-(3-methylphenyl)-4-{[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-(3-methylphenyl)-4-{[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
N-(3-methylphenyl)-4-{[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | G017-0381 |
| Compound Name: | N-(3-methylphenyl)-4-{[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 469.6 |
| Molecular Formula: | C25 H31 N3 O4 S |
| Smiles: | Cc1cccc(c1)NC(C1CCC(CC1)CNS(c1ccc2c(CCCC(N2)=O)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7189 |
| logD: | 3.7188 |
| logSw: | -3.8888 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.432 |
| InChI Key: | GHZCKCCHSZQFDE-UHFFFAOYSA-N |