7-{3-oxo-3-[4-(propan-2-yl)piperazin-1-yl]propyl}-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-{3-oxo-3-[4-(propan-2-yl)piperazin-1-yl]propyl}-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-{3-oxo-3-[4-(propan-2-yl)piperazin-1-yl]propyl}-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0592 |
| Compound Name: | 7-{3-oxo-3-[4-(propan-2-yl)piperazin-1-yl]propyl}-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 416.56 |
| Molecular Formula: | C23 H36 N4 O3 |
| Smiles: | CC(C)NC(N1CCOc2ccc(CCC(N3CCN(CC3)C(C)C)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5802 |
| logD: | 2.0344 |
| logSw: | -2.9732 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.204 |
| InChI Key: | ZUIPIIDOVXMJDG-UHFFFAOYSA-N |