3-[(4-fluorophenyl)methyl]-N-(2,4,6-trimethylphenyl)-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
3-[(4-fluorophenyl)methyl]-N-(2,4,6-trimethylphenyl)-1,3-diazinane-1-carbothioamide
3-[(4-fluorophenyl)methyl]-N-(2,4,6-trimethylphenyl)-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-5032 |
| Compound Name: | 3-[(4-fluorophenyl)methyl]-N-(2,4,6-trimethylphenyl)-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 371.52 |
| Molecular Formula: | C21 H26 F N3 S |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(N1CCCN(Cc2ccc(cc2)F)C1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.6824 |
| logD: | 4.63 |
| logSw: | -4.3183 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 14.0214 |
| InChI Key: | KKRSQMWWTZWPOV-UHFFFAOYSA-N |