3-benzyl-N-(3-chloro-4-fluorophenyl)-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
3-benzyl-N-(3-chloro-4-fluorophenyl)-1,3-diazinane-1-carbothioamide
3-benzyl-N-(3-chloro-4-fluorophenyl)-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K783-5176 |
| Compound Name: | 3-benzyl-N-(3-chloro-4-fluorophenyl)-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 363.88 |
| Molecular Formula: | C18 H19 Cl F N3 S |
| Smiles: | C1CN(Cc2ccccc2)CN(C1)C(Nc1ccc(c(c1)[Cl])F)=S |
| Stereo: | ACHIRAL |
| logP: | 4.7084 |
| logD: | 4.5877 |
| logSw: | -5.0688 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.4171 |
| InChI Key: | YJQWGWFQHRARRD-UHFFFAOYSA-N |