N-(3,5-difluorophenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
N-(3,5-difluorophenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide
N-(3,5-difluorophenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-6042 |
| Compound Name: | N-(3,5-difluorophenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 375.48 |
| Molecular Formula: | C20 H23 F2 N3 S |
| Smiles: | Cc1ccc(C)c(CN2CCCN(C2)C(Nc2cc(cc(c2)F)F)=S)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.6407 |
| logD: | 5.4948 |
| logSw: | -5.4423 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.4171 |
| InChI Key: | YADFYFOSXGZRHU-UHFFFAOYSA-N |