5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 3,4-dimethoxybenzoate
Chemical Structure Depiction of
5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 3,4-dimethoxybenzoate
5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 3,4-dimethoxybenzoate
Compound characteristics
| Compound ID: | C050-0266 |
| Compound Name: | 5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 3,4-dimethoxybenzoate |
| Molecular Weight: | 417.44 |
| Molecular Formula: | C19 H19 N3 O6 S |
| Smiles: | Cc1ccc(cc1)S(n1c(cc(n1)OC(c1ccc(c(c1)OC)OC)=O)N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2726 |
| logD: | 2.2726 |
| logSw: | -2.84 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.006 |
| InChI Key: | RODRBEGRFJNMRY-UHFFFAOYSA-N |