4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-nitrobenzoate
Chemical Structure Depiction of
4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-nitrobenzoate
4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-nitrobenzoate
Compound characteristics
| Compound ID: | C263-0463 |
| Compound Name: | 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-nitrobenzoate |
| Molecular Weight: | 491.52 |
| Molecular Formula: | C25 H21 N3 O6 S |
| Smiles: | Cc1ccc(c(C)c1)n1c(c(c(C)n1)S(c1ccccc1)(=O)=O)OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0471 |
| logD: | 5.0471 |
| logSw: | -4.7708 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.132 |
| InChI Key: | BMLNWSAJMOVGCK-UHFFFAOYSA-N |