3-[(2-chlorophenyl)methyl]-N-(3-methylphenyl)-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-N-(3-methylphenyl)-1,3-diazinane-1-carbothioamide
3-[(2-chlorophenyl)methyl]-N-(3-methylphenyl)-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-3601 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-N-(3-methylphenyl)-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 359.92 |
| Molecular Formula: | C19 H22 Cl N3 S |
| Smiles: | Cc1cccc(c1)NC(N1CCCN(Cc2ccccc2[Cl])C1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.9761 |
| logD: | 4.9389 |
| logSw: | -5.1135 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.4171 |
| InChI Key: | PBOPPQYOPISXRG-UHFFFAOYSA-N |