N-[(4-chlorophenyl)methyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-[(4-chlorophenyl)methyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C660-0339 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 412.94 |
| Molecular Formula: | C21 H21 Cl N4 O S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(NCc1ccc(cc1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 3.6705 |
| logD: | 3.6704 |
| logSw: | -4.2857 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.864 |
| InChI Key: | KVHUJEMSHJTVSY-UHFFFAOYSA-N |