propan-2-yl 2-(2-{[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-(2-{[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-(2-{[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-9058 |
| Compound Name: | propan-2-yl 2-(2-{[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 537.1 |
| Molecular Formula: | C23 H29 Cl N6 O3 S2 |
| Smiles: | CCn1c(c2c(c(C)n(C)n2)[Cl])nnc1SCC(Nc1c(C(=O)OC(C)C)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2992 |
| logD: | 2.2479 |
| logSw: | -4.9683 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.296 |
| InChI Key: | ORYLFKLDRWXOHN-UHFFFAOYSA-N |