N-[2-(4-benzylpiperazin-1-yl)ethyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Chemical Structure Depiction of
N-[2-(4-benzylpiperazin-1-yl)ethyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-[2-(4-benzylpiperazin-1-yl)ethyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3482 |
| Compound Name: | N-[2-(4-benzylpiperazin-1-yl)ethyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 490.67 |
| Molecular Formula: | C27 H34 N6 O S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(NCCN1CCN(CC1)Cc1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 2.7394 |
| logD: | 1.3913 |
| logSw: | -3.5949 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.229 |
| InChI Key: | VTQZHXKFIZKSGL-UHFFFAOYSA-N |