ethyl 4-{[3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
ethyl 4-{[3-(3,4-dimethoxyphenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | 8007-8464 |
| Compound Name: | ethyl 4-{[3-(3,4-dimethoxyphenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C24 H29 N5 O4 S |
| Smiles: | CCOC(N1CCN(CC1)CN1C(N(C(c2ccc(c(c2)OC)OC)=N1)c1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2131 |
| logD: | 3.1912 |
| logSw: | -3.3487 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.694 |
| InChI Key: | NKMUDWZJCJNOEL-UHFFFAOYSA-N |