N-(3-chlorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide
N-(3-chlorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-4751 |
| Compound Name: | N-(3-chlorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 363.88 |
| Molecular Formula: | C18 H19 Cl F N3 S |
| Smiles: | C1CN(Cc2ccccc2F)CN(C1)C(Nc1cccc(c1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 5.0262 |
| logD: | 4.9738 |
| logSw: | -5.1554 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.4171 |
| InChI Key: | FXJLTTMMLBWKDB-UHFFFAOYSA-N |