3-[(2,5-dimethylphenyl)methyl]-N-(2,4,6-trimethylphenyl)-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
3-[(2,5-dimethylphenyl)methyl]-N-(2,4,6-trimethylphenyl)-1,3-diazinane-1-carbothioamide
3-[(2,5-dimethylphenyl)methyl]-N-(2,4,6-trimethylphenyl)-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-6046 |
| Compound Name: | 3-[(2,5-dimethylphenyl)methyl]-N-(2,4,6-trimethylphenyl)-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 381.58 |
| Molecular Formula: | C23 H31 N3 S |
| Smiles: | Cc1ccc(C)c(CN2CCCN(C2)C(Nc2c(C)cc(C)cc2C)=S)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.8534 |
| logD: | 5.7077 |
| logSw: | -5.4038 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 14.0214 |
| InChI Key: | KYFPTZJSLUUYBD-UHFFFAOYSA-N |