3-[(3-chlorophenyl)methyl]-N-(3,5-difluorophenyl)-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
3-[(3-chlorophenyl)methyl]-N-(3,5-difluorophenyl)-1,3-diazinane-1-carbothioamide
3-[(3-chlorophenyl)methyl]-N-(3,5-difluorophenyl)-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-6023 |
| Compound Name: | 3-[(3-chlorophenyl)methyl]-N-(3,5-difluorophenyl)-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 381.87 |
| Molecular Formula: | C18 H18 Cl F2 N3 S |
| Smiles: | C1CN(Cc2cccc(c2)[Cl])CN(C1)C(Nc1cc(cc(c1)F)F)=S |
| Stereo: | ACHIRAL |
| logP: | 5.096 |
| logD: | 5.0402 |
| logSw: | -5.4512 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.4171 |
| InChI Key: | XWAMWVNBOQOSGR-UHFFFAOYSA-N |