ethyl 2-(2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-9057 |
| Compound Name: | ethyl 2-(2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 594.76 |
| Molecular Formula: | C29 H34 N6 O4 S2 |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(CSc3nnc(c4cc(C)n(C)n4)n3c3ccccc3OC)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9843 |
| logD: | 3.0241 |
| logSw: | -4.7169 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.147 |
| InChI Key: | GHDPOISKQDNSMB-GOSISDBHSA-N |