N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0660 |
| Compound Name: | N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 444.58 |
| Molecular Formula: | C27 H32 N4 O2 |
| Smiles: | CC1CCN(CC1)Cc1ccc(cc1)NC(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6213 |
| logD: | 2.1716 |
| logSw: | -3.8835 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.544 |
| InChI Key: | ZXVFKPMZRLHXKN-UHFFFAOYSA-N |