N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3452 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(NCc1ccc2c(c1)OCO2)=S |
| Stereo: | ACHIRAL |
| logP: | 2.9888 |
| logD: | 2.9888 |
| logSw: | -3.5631 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.98 |
| InChI Key: | GPLWCHZPVXTVRJ-UHFFFAOYSA-N |