N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of
N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Compound characteristics
| Compound ID: | G217-0059 |
| Compound Name: | N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C26 H25 N3 O4 |
| Smiles: | C1CCN(C(Nc2ccc(cc2)C(NCc2ccc3c(c2)OCO3)=O)=O)c2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 4.7756 |
| logD: | 4.7755 |
| logSw: | -4.7174 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.232 |
| InChI Key: | HBKLVZYJWYZPDL-UHFFFAOYSA-N |