N-[(4-methoxyphenyl)methyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-[(4-methoxyphenyl)methyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3454 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C22 H24 N4 O2 S |
| Smiles: | COc1ccc(CNC(Nc2ccc3c(c2)C(N2CCCCCC2=N3)=O)=S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0581 |
| logD: | 3.058 |
| logSw: | -3.5998 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.408 |
| InChI Key: | YIADTNAOGOHXKO-UHFFFAOYSA-N |