3-[(2-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)-1,3-diazinane-1-carbothioamide
3-[(2-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-3610 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 373.95 |
| Molecular Formula: | C20 H24 Cl N3 S |
| Smiles: | Cc1cc(C)cc(c1)NC(N1CCCN(Cc2ccccc2[Cl])C1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.3091 |
| logD: | 5.2719 |
| logSw: | -5.9557 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.4171 |
| InChI Key: | UUUVBODKEFRONK-UHFFFAOYSA-N |