3-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
3-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)-1,3-diazinane-1-carbothioamide
3-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-5020 |
| Compound Name: | 3-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 343.46 |
| Molecular Formula: | C19 H22 F N3 S |
| Smiles: | Cc1ccccc1NC(N1CCCN(Cc2ccc(cc2)F)C1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.1458 |
| logD: | 4.0934 |
| logSw: | -4.0077 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 14.7193 |
| InChI Key: | PCFYVQPMXRBNFB-UHFFFAOYSA-N |