1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl thiophene-2-carboxylate
Chemical Structure Depiction of
1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl thiophene-2-carboxylate
1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C100-0714 |
| Compound Name: | 1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl thiophene-2-carboxylate |
| Molecular Weight: | 406.95 |
| Molecular Formula: | C19 H19 Cl N2 O2 S2 |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(c1cccs1)=O)Sc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4371 |
| logD: | 5.4371 |
| logSw: | -5.9923 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.264 |
| InChI Key: | ZRUQLIPCMWRLBZ-UHFFFAOYSA-N |