5-amino-1-(4-methoxybenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate
Chemical Structure Depiction of
5-amino-1-(4-methoxybenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate
5-amino-1-(4-methoxybenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate
Compound characteristics
| Compound ID: | C050-0358 |
| Compound Name: | 5-amino-1-(4-methoxybenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-tert-butylbenzoate |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C21 H23 N3 O5 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(=O)Oc1cc(N)n(n1)S(c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1221 |
| logD: | 4.1221 |
| logSw: | -4.5683 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.289 |
| InChI Key: | NIMXNSMPMFOJGT-UHFFFAOYSA-N |