4-{[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]methyl}-N-[(thiophen-2-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]methyl}-N-[(thiophen-2-yl)methyl]cyclohexane-1-carboxamide
4-{[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]methyl}-N-[(thiophen-2-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | G017-0340 |
| Compound Name: | 4-{[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]methyl}-N-[(thiophen-2-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 475.63 |
| Molecular Formula: | C23 H29 N3 O4 S2 |
| Smiles: | C1CC(Nc2ccc(cc2C1)S(NCC1CCC(CC1)C(NCc1cccs1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0228 |
| logD: | 3.0228 |
| logSw: | -3.4251 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.772 |
| InChI Key: | BUEYFIDOXFTECC-UHFFFAOYSA-N |