N-[(2,5-dimethoxyphenyl)methyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Chemical Structure Depiction of
N-[(2,5-dimethoxyphenyl)methyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-[(2,5-dimethoxyphenyl)methyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3461 |
| Compound Name: | N-[(2,5-dimethoxyphenyl)methyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C23 H26 N4 O3 S |
| Smiles: | COc1ccc(c(CNC(Nc2ccc3c(c2)C(N2CCCCCC2=N3)=O)=S)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2758 |
| logD: | 3.2757 |
| logSw: | -3.6626 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.039 |
| InChI Key: | PSSLPTDLVVJILS-UHFFFAOYSA-N |