N-[3-(4-benzylpiperidin-1-yl)propyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[3-(4-benzylpiperidin-1-yl)propyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-[3-(4-benzylpiperidin-1-yl)propyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C660-0333 |
| Compound Name: | N-[3-(4-benzylpiperidin-1-yl)propyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 472.63 |
| Molecular Formula: | C29 H36 N4 O2 |
| Smiles: | C1CCC2=Nc3cc(ccc3C(N2CC1)=O)C(NCCCN1CCC(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7813 |
| logD: | 1.7467 |
| logSw: | -4.0741 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.686 |
| InChI Key: | QEGLHNDNSGXBCU-UHFFFAOYSA-N |