dimethyl 5-{[2-(pyridine-4-carbonyl)hydrazinecarbothioyl]amino}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[2-(pyridine-4-carbonyl)hydrazinecarbothioyl]amino}benzene-1,3-dicarboxylate
dimethyl 5-{[2-(pyridine-4-carbonyl)hydrazinecarbothioyl]amino}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | Y600-2540 |
| Compound Name: | dimethyl 5-{[2-(pyridine-4-carbonyl)hydrazinecarbothioyl]amino}benzene-1,3-dicarboxylate |
| Molecular Weight: | 388.4 |
| Molecular Formula: | C17 H16 N4 O5 S |
| Smiles: | COC(c1cc(cc(c1)NC(NNC(c1ccncc1)=O)=S)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9872 |
| logD: | 1.5565 |
| logSw: | -2.3647 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.942 |
| InChI Key: | ZMXHKMAXDGNFRM-UHFFFAOYSA-N |