3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl thiophene-2-carboxylate
Chemical Structure Depiction of
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl thiophene-2-carboxylate
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C100-0168 |
| Compound Name: | 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl thiophene-2-carboxylate |
| Molecular Weight: | 437.49 |
| Molecular Formula: | C21 H15 N3 O4 S2 |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1cccs1)=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0022 |
| logD: | 5.0022 |
| logSw: | -4.7866 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.378 |
| InChI Key: | ZPARVDCFKFZFFC-UHFFFAOYSA-N |