5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-methylbenzoate
Chemical Structure Depiction of
5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-methylbenzoate
5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-methylbenzoate
Compound characteristics
| Compound ID: | C050-0243 |
| Compound Name: | 5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-methylbenzoate |
| Molecular Weight: | 371.41 |
| Molecular Formula: | C18 H17 N3 O4 S |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1cc(N)n(n1)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.192 |
| logD: | 3.192 |
| logSw: | -3.4899 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.745 |
| InChI Key: | XSNLYLASGVGTDF-UHFFFAOYSA-N |