ethyl 1-({[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-({[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate
ethyl 1-({[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate
Compound characteristics
Compound ID: | G731-0289 |
Compound Name: | ethyl 1-({[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate |
Molecular Weight: | 392.45 |
Molecular Formula: | C18 H21 F N4 O3 S |
Smiles: | CCOC(C1CCN(CC1)C(CSc1nnc(c2ccc(cc2)F)[nH]1)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.0652 |
logD: | 0.8735 |
logSw: | -2.5441 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.62 |
InChI Key: | LGNIFPMCGDOQAV-UHFFFAOYSA-N |