ethyl 4-{[3-(3-fluorophenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[3-(3-fluorophenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
ethyl 4-{[3-(3-fluorophenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | 6220-1288 |
| Compound Name: | ethyl 4-{[3-(3-fluorophenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C22 H24 F N5 O2 S |
| Smiles: | CCOC(N1CCN(CC1)CN1C(N(C(c2cccc(c2)F)=N1)c1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7117 |
| logD: | 3.6897 |
| logSw: | -3.9058 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.433 |
| InChI Key: | SAUVJTKZVIITHS-UHFFFAOYSA-N |