ethyl 4-{[3-(phenoxymethyl)-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-(phenoxymethyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
ethyl 4-{[3-(phenoxymethyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | 8008-1455 |
| Compound Name: | ethyl 4-{[3-(phenoxymethyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C23 H27 N5 O3 S |
| Smiles: | CCOC(N1CCN(CC1)CN1C(N(C(COc2ccccc2)=N1)c1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2866 |
| logD: | 2.6953 |
| logSw: | -3.2704 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.788 |
| InChI Key: | FBLRKUIIDHFTFQ-UHFFFAOYSA-N |