N-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of
N-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
N-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Compound characteristics
| Compound ID: | G217-0253 |
| Compound Name: | N-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide |
| Molecular Weight: | 456.55 |
| Molecular Formula: | C26 H28 N6 O2 |
| Smiles: | C1CCN(C(Nc2ccc(cc2)C(N2CCN(CC2)c2ncccn2)=O)=O)c2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 4.0776 |
| logD: | 4.0775 |
| logSw: | -4.2663 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.974 |
| InChI Key: | PECTVRWDEPZKDG-UHFFFAOYSA-N |