N-[2-(4-chlorophenyl)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-chlorophenyl)ethyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-[2-(4-chlorophenyl)ethyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3453 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 426.97 |
| Molecular Formula: | C22 H23 Cl N4 O S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(NCCc1ccc(cc1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 3.7838 |
| logD: | 3.7838 |
| logSw: | -4.3811 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.706 |
| InChI Key: | LCGHTACGANRSGB-UHFFFAOYSA-N |