5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate
Chemical Structure Depiction of
5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate
5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate
Compound characteristics
| Compound ID: | C050-0254 |
| Compound Name: | 5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | Cc1ccc(cc1)S(n1c(cc(n1)OC(c1ccc(cc1)C(C)(C)C)=O)N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5631 |
| logD: | 4.5631 |
| logSw: | -4.6099 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.745 |
| InChI Key: | HZVZAUFPGMZZSI-UHFFFAOYSA-N |