3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate
Chemical Structure Depiction of
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate
Compound characteristics
| Compound ID: | C263-0381 |
| Compound Name: | 3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate |
| Molecular Weight: | 551.57 |
| Molecular Formula: | C27 H25 N3 O8 S |
| Smiles: | CCOc1ccc(cc1OCC)C(=O)Oc1c(c(C)nn1c1ccccc1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0058 |
| logD: | 4.0058 |
| logSw: | -4.1591 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 111.853 |
| InChI Key: | NKEPVYBJWBCMQB-UHFFFAOYSA-N |