ethyl 4-{[4-methyl-3-(phenoxymethyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[4-methyl-3-(phenoxymethyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
ethyl 4-{[4-methyl-3-(phenoxymethyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | 8008-4742 |
| Compound Name: | ethyl 4-{[4-methyl-3-(phenoxymethyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C18 H25 N5 O3 S |
| Smiles: | CCOC(N1CCN(CC1)CN1C(N(C)C(COc2ccccc2)=N1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0439 |
| logD: | -0.0499 |
| logSw: | -2.2724 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.437 |
| InChI Key: | JARVENCPUGHMGA-UHFFFAOYSA-N |