N-{4-[(2,3-dimethylphenyl)carbamoyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of
N-{4-[(2,3-dimethylphenyl)carbamoyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
N-{4-[(2,3-dimethylphenyl)carbamoyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Compound characteristics
| Compound ID: | G217-0044 |
| Compound Name: | N-{4-[(2,3-dimethylphenyl)carbamoyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C26 H27 N3 O2 |
| Smiles: | Cc1cccc(c1C)NC(c1ccc(cc1)NC(N1CCCCc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0254 |
| logD: | 6.0252 |
| logSw: | -5.4056 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.097 |
| InChI Key: | XPKKOKNCFIGTSK-UHFFFAOYSA-N |