N-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
N-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide
N-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-5017 |
| Compound Name: | N-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 373.49 |
| Molecular Formula: | C20 H24 F N3 O S |
| Smiles: | CCOc1ccccc1NC(N1CCCN(Cc2ccc(cc2)F)C1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.5256 |
| logD: | 4.4732 |
| logSw: | -4.0551 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 21.9295 |
| InChI Key: | GBGMJTWHHZWGRI-UHFFFAOYSA-N |