N-(3-methoxyphenyl)-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Chemical Structure Depiction of
N-(3-methoxyphenyl)-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-(3-methoxyphenyl)-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3463 |
| Compound Name: | N-(3-methoxyphenyl)-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C21 H22 N4 O2 S |
| Smiles: | COc1cccc(c1)NC(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.7868 |
| logD: | 3.7868 |
| logSw: | -3.9457 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.086 |
| InChI Key: | VQWLGZSANKBDPE-UHFFFAOYSA-N |