N-(2-chloro-4-methylphenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide
N-(2-chloro-4-methylphenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-3271 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 394.36 |
| Molecular Formula: | C19 H21 Cl2 N3 S |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(N1CCCN(Cc2ccccc2[Cl])C1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.6836 |
| logD: | 5.6464 |
| logSw: | -5.988 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 14.7193 |
| InChI Key: | AXUDOEXAGFEEGB-UHFFFAOYSA-N |