N-[(4-methylphenyl)methyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-[(4-methylphenyl)methyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3457 |
| Compound Name: | N-[(4-methylphenyl)methyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 392.52 |
| Molecular Formula: | C22 H24 N4 O S |
| Smiles: | Cc1ccc(CNC(Nc2ccc3c(c2)C(N2CCCCCC2=N3)=O)=S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4991 |
| logD: | 3.4991 |
| logSw: | -3.8077 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.864 |
| InChI Key: | USJPDJPPHZRTFK-UHFFFAOYSA-N |