ethyl 4-[(3,4-diphenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[(3,4-diphenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]piperazine-1-carboxylate
ethyl 4-[(3,4-diphenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | 8007-1748 |
| Compound Name: | ethyl 4-[(3,4-diphenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]piperazine-1-carboxylate |
| Molecular Weight: | 423.54 |
| Molecular Formula: | C22 H25 N5 O2 S |
| Smiles: | CCOC(N1CCN(CC1)CN1C(N(C(c2ccccc2)=N1)c1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5097 |
| logD: | 3.4877 |
| logSw: | -3.4972 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.433 |
| InChI Key: | WDXAWFCEWXFWDF-UHFFFAOYSA-N |