N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-chloro-2,5-dimethoxyphenyl)thiourea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-chloro-2,5-dimethoxyphenyl)thiourea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-chloro-2,5-dimethoxyphenyl)thiourea
Compound characteristics
| Compound ID: | 5743-0405 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-chloro-2,5-dimethoxyphenyl)thiourea |
| Molecular Weight: | 380.85 |
| Molecular Formula: | C17 H17 Cl N2 O4 S |
| Smiles: | COc1cc(c(cc1NC(NCc1ccc2c(c1)OCO2)=S)OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5984 |
| logD: | 3.5983 |
| logSw: | -3.5949 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.062 |
| InChI Key: | VKJCXQJXRZEQIU-UHFFFAOYSA-N |