3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate
Chemical Structure Depiction of
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate
Compound characteristics
| Compound ID: | C263-0408 |
| Compound Name: | 3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate |
| Molecular Weight: | 542.36 |
| Molecular Formula: | C23 H16 Br N3 O6 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1cccc(c1)[Br])=O)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7392 |
| logD: | 4.7392 |
| logSw: | -4.766 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.433 |
| InChI Key: | CQOZHTHDTREMHV-UHFFFAOYSA-N |