3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2,3-dimethoxybenzoate
Chemical Structure Depiction of
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2,3-dimethoxybenzoate
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2,3-dimethoxybenzoate
Compound characteristics
| Compound ID: | C263-0429 |
| Compound Name: | 3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2,3-dimethoxybenzoate |
| Molecular Weight: | 523.52 |
| Molecular Formula: | C25 H21 N3 O8 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1cccc(c1OC)OC)=O)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0231 |
| logD: | 4.0231 |
| logSw: | -4.4105 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 112.78 |
| InChI Key: | PUHUVCZITDPTCF-UHFFFAOYSA-N |