N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-chloro-2-methylphenyl)thiourea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-chloro-2-methylphenyl)thiourea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-chloro-2-methylphenyl)thiourea
Compound characteristics
| Compound ID: | Y600-0570 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-chloro-2-methylphenyl)thiourea |
| Molecular Weight: | 334.82 |
| Molecular Formula: | C16 H15 Cl N2 O2 S |
| Smiles: | Cc1cc(ccc1NC(NCc1ccc2c(c1)OCO2)=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1703 |
| logD: | 4.1703 |
| logSw: | -4.326 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 36.801 |
| InChI Key: | VHSMGEFIYRVHQB-UHFFFAOYSA-N |