3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate
Chemical Structure Depiction of
3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate
3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate
Compound characteristics
| Compound ID: | C263-0354 |
| Compound Name: | 3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate |
| Molecular Weight: | 491.52 |
| Molecular Formula: | C25 H21 N3 O6 S |
| Smiles: | Cc1ccc(cc1)S(c1c(C)nn(c2ccccc2)c1OC(c1cccc(c1C)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9282 |
| logD: | 4.9282 |
| logSw: | -4.8481 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.132 |
| InChI Key: | WHJWOZHPHARATG-UHFFFAOYSA-N |