3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl thiophene-2-carboxylate
Chemical Structure Depiction of
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl thiophene-2-carboxylate
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C263-0434 |
| Compound Name: | 3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl thiophene-2-carboxylate |
| Molecular Weight: | 469.49 |
| Molecular Formula: | C21 H15 N3 O6 S2 |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1cccs1)=O)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9624 |
| logD: | 3.9624 |
| logSw: | -4.1472 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 98.451 |
| InChI Key: | WIWHLNKBSJOZAT-UHFFFAOYSA-N |