5-amino-1-(4-methoxybenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-nitrobenzoate
Chemical Structure Depiction of
5-amino-1-(4-methoxybenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-nitrobenzoate
5-amino-1-(4-methoxybenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-nitrobenzoate
Compound characteristics
| Compound ID: | C050-0354 |
| Compound Name: | 5-amino-1-(4-methoxybenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-nitrobenzoate |
| Molecular Weight: | 418.38 |
| Molecular Formula: | C17 H14 N4 O7 S |
| Smiles: | COc1ccc(cc1)S(n1c(cc(n1)OC(c1ccc(cc1)[N+]([O-])=O)=O)N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2533 |
| logD: | 2.2533 |
| logSw: | -2.9308 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.671 |
| InChI Key: | RIEZQJWJACOJAE-UHFFFAOYSA-N |