N-(1-benzylpiperidin-4-yl)-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Chemical Structure Depiction of
N-(1-benzylpiperidin-4-yl)-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-(1-benzylpiperidin-4-yl)-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3489 |
| Compound Name: | N-(1-benzylpiperidin-4-yl)-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 461.63 |
| Molecular Formula: | C26 H31 N5 O S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(NC1CCN(CC1)Cc1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.6119 |
| logD: | 2.4482 |
| logSw: | -3.8602 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.13 |
| InChI Key: | LMACJXWEPSWDOL-UHFFFAOYSA-N |