2-{3-[(4-cyanophenoxy)methyl]benzoyl}-N-[(oxolan-2-yl)methyl]hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-{3-[(4-cyanophenoxy)methyl]benzoyl}-N-[(oxolan-2-yl)methyl]hydrazine-1-carbothioamide
2-{3-[(4-cyanophenoxy)methyl]benzoyl}-N-[(oxolan-2-yl)methyl]hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y502-5958 |
| Compound Name: | 2-{3-[(4-cyanophenoxy)methyl]benzoyl}-N-[(oxolan-2-yl)methyl]hydrazine-1-carbothioamide |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C21 H22 N4 O3 S |
| Smiles: | C1CC(CNC(NNC(c2cccc(COc3ccc(C#N)cc3)c2)=O)=S)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2474 |
| logD: | 0.6644 |
| logSw: | -2.7662 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.426 |
| InChI Key: | YFQYYYOBZWRGQI-LJQANCHMSA-N |