N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E977-0489 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C24 H27 N3 O6 S |
| Smiles: | C1CC(Nc2ccc(cc2C1)S(N1CCC(CC1)C(NCc1ccc2c(c1)OCO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7359 |
| logD: | 1.7358 |
| logSw: | -2.6044 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.63 |
| InChI Key: | VBJBLQUMJOTMAB-UHFFFAOYSA-N |