3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl (3-methylphenyl)acetate
Chemical Structure Depiction of
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl (3-methylphenyl)acetate
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl (3-methylphenyl)acetate
Compound characteristics
| Compound ID: | C263-0374 |
| Compound Name: | 3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl (3-methylphenyl)acetate |
| Molecular Weight: | 491.52 |
| Molecular Formula: | C25 H21 N3 O6 S |
| Smiles: | Cc1cccc(CC(=O)Oc2c(c(C)nn2c2ccccc2)S(c2ccc(cc2)[N+]([O-])=O)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7513 |
| logD: | 4.7513 |
| logSw: | -4.7092 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.838 |
| InChI Key: | PDJCWDZTJDXCSZ-UHFFFAOYSA-N |