N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-methoxyphenyl)thiourea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-methoxyphenyl)thiourea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-methoxyphenyl)thiourea
Compound characteristics
| Compound ID: | 3805-1075 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-methoxyphenyl)thiourea |
| Molecular Weight: | 316.38 |
| Molecular Formula: | C16 H16 N2 O3 S |
| Smiles: | COc1ccc(cc1)NC(NCc1ccc2c(c1)OCO2)=S |
| Stereo: | ACHIRAL |
| logP: | 3.0508 |
| logD: | 3.0508 |
| logSw: | -3.4414 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.042 |
| InChI Key: | PNEJUAWZCCLRSJ-UHFFFAOYSA-N |