3-[(2-chlorophenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1,3-diazinane-1-carbothioamide
3-[(2-chlorophenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-3791 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 391.98 |
| Molecular Formula: | C19 H22 Cl N3 S2 |
| Smiles: | CSc1cccc(c1)NC(N1CCCN(Cc2ccccc2[Cl])C1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.0771 |
| logD: | 5.0399 |
| logSw: | -5.4682 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.4171 |
| InChI Key: | YYOIYFADHQKJHC-UHFFFAOYSA-N |