3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl thiophene-2-carboxylate
Chemical Structure Depiction of
3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl thiophene-2-carboxylate
3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C100-0350 |
| Compound Name: | 3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl thiophene-2-carboxylate |
| Molecular Weight: | 406.52 |
| Molecular Formula: | C22 H18 N2 O2 S2 |
| Smiles: | Cc1ccc(cc1)Sc1c(C)nn(c2ccccc2)c1OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6967 |
| logD: | 5.6967 |
| logSw: | -5.5937 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.297 |
| InChI Key: | LRMRIRRVJTYKPL-UHFFFAOYSA-N |