ethyl 1-{[4-phenyl-3-(pyridin-4-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{[4-phenyl-3-(pyridin-4-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-3-carboxylate
ethyl 1-{[4-phenyl-3-(pyridin-4-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | G856-6172 |
| Compound Name: | ethyl 1-{[4-phenyl-3-(pyridin-4-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-3-carboxylate |
| Molecular Weight: | 423.54 |
| Molecular Formula: | C22 H25 N5 O2 S |
| Smiles: | CCOC(C1CCCN(C1)CN1C(N(C(c2ccncc2)=N1)c1ccccc1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7531 |
| logD: | 2.6081 |
| logSw: | -2.7764 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.769 |
| InChI Key: | GFTONKNURPNQMJ-SFHVURJKSA-N |