1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl thiophene-2-carboxylate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl thiophene-2-carboxylate
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C263-0155 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl thiophene-2-carboxylate |
| Molecular Weight: | 418.53 |
| Molecular Formula: | C20 H22 N2 O4 S2 |
| Smiles: | Cc1ccc(cc1)S(c1c(C)nn(c1OC(c1cccs1)=O)C(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0291 |
| logD: | 4.0291 |
| logSw: | -4.0661 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.036 |
| InChI Key: | AGRYPPPEOJFIBA-UHFFFAOYSA-N |