3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-ethoxybenzoate
Chemical Structure Depiction of
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-ethoxybenzoate
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-ethoxybenzoate
Compound characteristics
| Compound ID: | C263-0378 |
| Compound Name: | 3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-ethoxybenzoate |
| Molecular Weight: | 507.52 |
| Molecular Formula: | C25 H21 N3 O7 S |
| Smiles: | CCOc1ccccc1C(=O)Oc1c(c(C)nn1c1ccccc1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5246 |
| logD: | 4.5246 |
| logSw: | -4.5188 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 104.643 |
| InChI Key: | DMNCZFGDUMRCQT-UHFFFAOYSA-N |