3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl thiophene-2-carboxylate
Chemical Structure Depiction of
3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl thiophene-2-carboxylate
3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C263-0362 |
| Compound Name: | 3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl thiophene-2-carboxylate |
| Molecular Weight: | 438.52 |
| Molecular Formula: | C22 H18 N2 O4 S2 |
| Smiles: | Cc1ccc(cc1)S(c1c(C)nn(c2ccccc2)c1OC(c1cccs1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4601 |
| logD: | 4.4601 |
| logSw: | -4.4082 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.069 |
| InChI Key: | NTGOHLUPELLMHQ-UHFFFAOYSA-N |