N-[2-(3-methylphenyl)ethyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Chemical Structure Depiction of
N-[2-(3-methylphenyl)ethyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-[2-(3-methylphenyl)ethyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3462 |
| Compound Name: | N-[2-(3-methylphenyl)ethyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 406.55 |
| Molecular Formula: | C23 H26 N4 O S |
| Smiles: | Cc1cccc(CCNC(Nc2ccc3c(c2)C(N2CCCCCC2=N3)=O)=S)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7798 |
| logD: | 3.7797 |
| logSw: | -3.8387 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.706 |
| InChI Key: | RUZBRMWGEIRKHO-UHFFFAOYSA-N |