3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl furan-2-carboxylate
Chemical Structure Depiction of
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl furan-2-carboxylate
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl furan-2-carboxylate
Compound characteristics
| Compound ID: | C263-0433 |
| Compound Name: | 3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl furan-2-carboxylate |
| Molecular Weight: | 453.43 |
| Molecular Formula: | C21 H15 N3 O7 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1ccco1)=O)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1336 |
| logD: | 3.1336 |
| logSw: | -3.5914 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 106.011 |
| InChI Key: | VXXABXQDLFBPDK-UHFFFAOYSA-N |