ethyl 5-({4-[2,3-dimethyl-5-oxo-4-(propan-2-yl)-2,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonyl}amino)-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 5-({4-[2,3-dimethyl-5-oxo-4-(propan-2-yl)-2,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonyl}amino)-1-benzothiophene-2-carboxylate
ethyl 5-({4-[2,3-dimethyl-5-oxo-4-(propan-2-yl)-2,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonyl}amino)-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8019-4070 |
| Compound Name: | ethyl 5-({4-[2,3-dimethyl-5-oxo-4-(propan-2-yl)-2,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonyl}amino)-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 513.63 |
| Molecular Formula: | C25 H27 N3 O5 S2 |
| Smiles: | CCOC(c1cc2cc(ccc2s1)NS(c1ccc(cc1)N1C(C(C(C)C)=C(C)N1C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.349 |
| logD: | 4.3387 |
| logSw: | -4.2883 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.571 |
| InChI Key: | XOFFUCHDZKIKQH-UHFFFAOYSA-N |