3-[(3-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
3-[(3-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)-1,3-diazinane-1-carbothioamide
3-[(3-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-6021 |
| Compound Name: | 3-[(3-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 373.95 |
| Molecular Formula: | C20 H24 Cl N3 S |
| Smiles: | Cc1ccc(C)c(c1)NC(N1CCCN(Cc2cccc(c2)[Cl])C1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.0185 |
| logD: | 4.9629 |
| logSw: | -4.9401 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 14.7193 |
| InChI Key: | RZWSMMAVAOLWMI-UHFFFAOYSA-N |