ethyl 2-(2-{[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate
ethyl 2-(2-{[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-8703 |
| Compound Name: | ethyl 2-(2-{[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 607.52 |
| Molecular Formula: | C24 H24 Br F N6 O3 S2 |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(CSc1nnc(c2c(c(C)n(C)n2)[Br])n1c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3678 |
| logD: | 2.3667 |
| logSw: | -4.3733 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.443 |
| InChI Key: | PGFMHHGDRNOLCH-UHFFFAOYSA-N |