4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 5-chloro-2-nitrobenzoate
Chemical Structure Depiction of
4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 5-chloro-2-nitrobenzoate
4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 5-chloro-2-nitrobenzoate
Compound characteristics
| Compound ID: | C263-0297 |
| Compound Name: | 4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 5-chloro-2-nitrobenzoate |
| Molecular Weight: | 497.91 |
| Molecular Formula: | C23 H16 Cl N3 O6 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1cc(ccc1[N+]([O-])=O)[Cl])=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.335 |
| logD: | 4.335 |
| logSw: | -4.7546 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.132 |
| InChI Key: | DJTTVDCAYLNOQA-UHFFFAOYSA-N |