N-benzyl-4-{[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-{[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
N-benzyl-4-{[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | G017-0373 |
| Compound Name: | N-benzyl-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: | C1CC(Nc2ccc(cc2C1)S(NCC1CCC(CC1)C(NCc1ccccc1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0478 |
| logD: | 3.0477 |
| logSw: | -3.4804 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.754 |
| InChI Key: | XSPNHYYLZGQEBI-UHFFFAOYSA-N |