N-[3-(4-ethylpiperazin-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-ethylpiperazin-1-yl)propyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-[3-(4-ethylpiperazin-1-yl)propyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0445 |
| Compound Name: | N-[3-(4-ethylpiperazin-1-yl)propyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 411.55 |
| Molecular Formula: | C23 H33 N5 O2 |
| Smiles: | CCN1CCN(CCCNC(c2ccc3C(N4CCCCCC4=Nc3c2)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.9013 |
| logD: | -0.0469 |
| logSw: | -2.4817 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.494 |
| InChI Key: | VUUGKPBKNHISCK-UHFFFAOYSA-N |