N-[2-(4-methylpiperazin-1-yl)phenyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[2-(4-methylpiperazin-1-yl)phenyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-[2-(4-methylpiperazin-1-yl)phenyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0552 |
| Compound Name: | N-[2-(4-methylpiperazin-1-yl)phenyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 431.54 |
| Molecular Formula: | C25 H29 N5 O2 |
| Smiles: | CN1CCN(CC1)c1ccccc1NC(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5984 |
| logD: | 2.1234 |
| logSw: | -3.3434 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.741 |
| InChI Key: | NGTZVHSOTMPLTA-UHFFFAOYSA-N |