4-[(4-chlorophenyl)sulfanyl]-3-methyl-1-phenyl-1H-pyrazol-5-yl thiophene-2-carboxylate
Chemical Structure Depiction of
4-[(4-chlorophenyl)sulfanyl]-3-methyl-1-phenyl-1H-pyrazol-5-yl thiophene-2-carboxylate
4-[(4-chlorophenyl)sulfanyl]-3-methyl-1-phenyl-1H-pyrazol-5-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C100-0259 |
| Compound Name: | 4-[(4-chlorophenyl)sulfanyl]-3-methyl-1-phenyl-1H-pyrazol-5-yl thiophene-2-carboxylate |
| Molecular Weight: | 426.94 |
| Molecular Formula: | C21 H15 Cl N2 O2 S2 |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1cccs1)=O)Sc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.868 |
| logD: | 5.868 |
| logSw: | -6.048 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.297 |
| InChI Key: | BSUXZNNNEJNQRJ-UHFFFAOYSA-N |