N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N'-[3-(trifluoromethyl)phenyl]thiourea
Chemical Structure Depiction of
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N'-[3-(trifluoromethyl)phenyl]thiourea
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N'-[3-(trifluoromethyl)phenyl]thiourea
Compound characteristics
| Compound ID: | C066-3435 |
| Compound Name: | N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N'-[3-(trifluoromethyl)phenyl]thiourea |
| Molecular Weight: | 432.47 |
| Molecular Formula: | C21 H19 F3 N4 O S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(Nc1cccc(c1)C(F)(F)F)=S |
| Stereo: | ACHIRAL |
| logP: | 4.7636 |
| logD: | 4.7636 |
| logSw: | -4.4938 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.542 |
| InChI Key: | JKMFQJJLSYWPJE-UHFFFAOYSA-N |