N-(3-chloro-4-fluorophenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide
N-(3-chloro-4-fluorophenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-3272 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 398.33 |
| Molecular Formula: | C18 H18 Cl2 F N3 S |
| Smiles: | C1CN(Cc2ccccc2[Cl])CN(C1)C(Nc1ccc(c(c1)[Cl])F)=S |
| Stereo: | ACHIRAL |
| logP: | 5.3463 |
| logD: | 5.309 |
| logSw: | -6.117 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.4171 |
| InChI Key: | QIFSRDMZXOJDHF-UHFFFAOYSA-N |