N-(3-chloro-4-methylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide
N-(3-chloro-4-methylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-6050 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 387.97 |
| Molecular Formula: | C21 H26 Cl N3 S |
| Smiles: | Cc1ccc(C)c(CN2CCCN(C2)C(Nc2ccc(C)c(c2)[Cl])=S)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.5685 |
| logD: | 6.4228 |
| logSw: | -6.4576 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.4171 |
| InChI Key: | FITIKGRTMLEZOX-UHFFFAOYSA-N |