N-{3-[butyl(ethyl)amino]propyl}-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Chemical Structure Depiction of
N-{3-[butyl(ethyl)amino]propyl}-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-{3-[butyl(ethyl)amino]propyl}-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3557 |
| Compound Name: | N-{3-[butyl(ethyl)amino]propyl}-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 429.63 |
| Molecular Formula: | C23 H35 N5 O S |
| Smiles: | CCCCN(CC)CCCNC(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.4151 |
| logD: | 0.8704 |
| logSw: | -3.7746 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.642 |
| InChI Key: | WIDYBWZVNBWWJA-UHFFFAOYSA-N |