N-(2,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide
N-(2,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-5035 |
| Compound Name: | N-(2,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 357.49 |
| Molecular Formula: | C20 H24 F N3 S |
| Smiles: | Cc1ccc(C)c(c1)NC(N1CCCN(Cc2ccc(cc2)F)C1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.3921 |
| logD: | 4.3397 |
| logSw: | -4.1489 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 14.7193 |
| InChI Key: | GTQJWYVEUVHVAT-UHFFFAOYSA-N |