N-{4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of
N-{4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
N-{4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Compound characteristics
| Compound ID: | G217-0231 |
| Compound Name: | N-{4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide |
| Molecular Weight: | 482.63 |
| Molecular Formula: | C30 H34 N4 O2 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(c1ccc(cc1)NC(N1CCCCc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0366 |
| logD: | 6.0365 |
| logSw: | -5.396 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.311 |
| InChI Key: | IKQXCBXSSTUZHM-UHFFFAOYSA-N |