3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | P593-0267 |
| Compound Name: | 3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 349.41 |
| Molecular Formula: | C16 H19 N3 O4 S |
| Smiles: | CC(C)n1cc(C(O)=O)c(n1)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4397 |
| logD: | -1.6668 |
| logSw: | -2.5559 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.302 |
| InChI Key: | DTHFPKLVDDNWLK-UHFFFAOYSA-N |