4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate
Chemical Structure Depiction of
4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate
4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate
Compound characteristics
| Compound ID: | C263-0300 |
| Compound Name: | 4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate |
| Molecular Weight: | 477.49 |
| Molecular Formula: | C24 H19 N3 O6 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(=O)Oc1c(c(C)nn1c1ccccc1)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3198 |
| logD: | 4.3198 |
| logSw: | -4.636 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.132 |
| InChI Key: | DJNTVANPOQWFPN-UHFFFAOYSA-N |