3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl cyclopentanecarboxylate
Chemical Structure Depiction of
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl cyclopentanecarboxylate
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl cyclopentanecarboxylate
Compound characteristics
| Compound ID: | C263-0365 |
| Compound Name: | 3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl cyclopentanecarboxylate |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C22 H21 N3 O6 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(C1CCCC1)=O)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0612 |
| logD: | 4.0612 |
| logSw: | -4.1262 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.991 |
| InChI Key: | IPTVKKRNLQTLAF-UHFFFAOYSA-N |