methyl 2-({2-[1-(4-chloro-2,5-difluorobenzoyl)piperidine-4-carbonyl]hydrazinecarbothioyl}amino)pyridine-3-carboxylate
Chemical Structure Depiction of
methyl 2-({2-[1-(4-chloro-2,5-difluorobenzoyl)piperidine-4-carbonyl]hydrazinecarbothioyl}amino)pyridine-3-carboxylate
methyl 2-({2-[1-(4-chloro-2,5-difluorobenzoyl)piperidine-4-carbonyl]hydrazinecarbothioyl}amino)pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K256-0208 |
| Compound Name: | methyl 2-({2-[1-(4-chloro-2,5-difluorobenzoyl)piperidine-4-carbonyl]hydrazinecarbothioyl}amino)pyridine-3-carboxylate |
| Molecular Weight: | 511.93 |
| Molecular Formula: | C21 H20 Cl F2 N5 O4 S |
| Smiles: | COC(c1cccnc1NC(NNC(C1CCN(CC1)C(c1cc(c(cc1F)[Cl])F)=O)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7158 |
| logD: | 0.7421 |
| logSw: | -3.6436 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.676 |
| InChI Key: | KWEXDXJSNZWUNQ-UHFFFAOYSA-N |