3-[(2,5-dimethylphenyl)methyl]-N-(4-methylphenyl)-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
3-[(2,5-dimethylphenyl)methyl]-N-(4-methylphenyl)-1,3-diazinane-1-carbothioamide
3-[(2,5-dimethylphenyl)methyl]-N-(4-methylphenyl)-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-6048 |
| Compound Name: | 3-[(2,5-dimethylphenyl)methyl]-N-(4-methylphenyl)-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 353.53 |
| Molecular Formula: | C21 H27 N3 S |
| Smiles: | Cc1ccc(cc1)NC(N1CCCN(Cc2cc(C)ccc2C)C1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.6017 |
| logD: | 5.456 |
| logSw: | -5.3481 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.4171 |
| InChI Key: | QEEATUJLQKVBSN-UHFFFAOYSA-N |