5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 2,4-dinitrobenzoate
Chemical Structure Depiction of
5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 2,4-dinitrobenzoate
5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 2,4-dinitrobenzoate
Compound characteristics
| Compound ID: | C050-0239 |
| Compound Name: | 5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 2,4-dinitrobenzoate |
| Molecular Weight: | 447.38 |
| Molecular Formula: | C17 H13 N5 O8 S |
| Smiles: | Cc1ccc(cc1)S(n1c(cc(n1)OC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O)N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6585 |
| logD: | 2.6585 |
| logSw: | -3.4382 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 147.207 |
| InChI Key: | MMEJPPFBJDAEKF-UHFFFAOYSA-N |