1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl thiophene-2-carboxylate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl thiophene-2-carboxylate
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C100-0805 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl thiophene-2-carboxylate |
| Molecular Weight: | 386.53 |
| Molecular Formula: | C20 H22 N2 O2 S2 |
| Smiles: | Cc1ccc(cc1)Sc1c(C)nn(c1OC(c1cccs1)=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.2657 |
| logD: | 5.2657 |
| logSw: | -5.1688 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.264 |
| InChI Key: | SEVQZJULOFWSQB-UHFFFAOYSA-N |