N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-methylphenyl)thiourea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-methylphenyl)thiourea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-methylphenyl)thiourea
Compound characteristics
| Compound ID: | 3805-1135 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-methylphenyl)thiourea |
| Molecular Weight: | 300.38 |
| Molecular Formula: | C16 H16 N2 O2 S |
| Smiles: | Cc1ccc(cc1)NC(NCc1ccc2c(c1)OCO2)=S |
| Stereo: | ACHIRAL |
| logP: | 3.4918 |
| logD: | 3.4918 |
| logSw: | -3.6616 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 37.499 |
| InChI Key: | YHPFMNQEQIJIQS-UHFFFAOYSA-N |