methyl 2-(2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-9055 |
| Compound Name: | methyl 2-(2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 552.67 |
| Molecular Formula: | C26 H28 N6 O4 S2 |
| Smiles: | Cc1cc(c2nnc(n2c2ccccc2OC)SCC(Nc2c(C(=O)OC)c3CCCCc3s2)=O)nn1C |
| Stereo: | ACHIRAL |
| logP: | 3.6225 |
| logD: | 1.6624 |
| logSw: | -4.1306 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.567 |
| InChI Key: | FDERMJPYURTJPO-UHFFFAOYSA-N |