dimethyl 2-{[2-(pyridin-3-yl)piperidine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{[2-(pyridin-3-yl)piperidine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
dimethyl 2-{[2-(pyridin-3-yl)piperidine-1-carbothioyl]amino}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | C200-1702 |
| Compound Name: | dimethyl 2-{[2-(pyridin-3-yl)piperidine-1-carbothioyl]amino}benzene-1,4-dicarboxylate |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(N1CCCCC1c1cccnc1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4351 |
| logD: | 3.435 |
| logSw: | -3.454 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.727 |
| InChI Key: | NPCMQVLCKHAVLK-SFHVURJKSA-N |