N-(3,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide
N-(3,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-4762 |
| Compound Name: | N-(3,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 357.49 |
| Molecular Formula: | C20 H24 F N3 S |
| Smiles: | Cc1cc(C)cc(c1)NC(N1CCCN(Cc2ccccc2F)C1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.9656 |
| logD: | 4.9132 |
| logSw: | -4.5724 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.4171 |
| InChI Key: | YQNGKBNZGDSNDC-UHFFFAOYSA-N |