12-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
12-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
12-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C066-3566 |
| Compound Name: | 12-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C27 H33 N5 O2 |
| Smiles: | C1CCC2=Nc3cc(ccc3C(N2CC1)=O)C(NCCCN1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3738 |
| logD: | 1.8299 |
| logSw: | -3.1766 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.217 |
| InChI Key: | DDCGEQKUELLFLS-UHFFFAOYSA-N |