3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl cyclopentanecarboxylate
Chemical Structure Depiction of
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl cyclopentanecarboxylate
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl cyclopentanecarboxylate
Compound characteristics
| Compound ID: | C100-0092 |
| Compound Name: | 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl cyclopentanecarboxylate |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C22 H21 N3 O4 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(C1CCCC1)=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1011 |
| logD: | 5.1011 |
| logSw: | -4.9372 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.917 |
| InChI Key: | AOJJVRHSRRGCSZ-UHFFFAOYSA-N |