3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)benzoic acid
Chemical Structure Depiction of
3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)benzoic acid
3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)benzoic acid
Compound characteristics
| Compound ID: | 8014-2249 |
| Compound Name: | 3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)benzoic acid |
| Molecular Weight: | 317.36 |
| Molecular Formula: | C16 H15 N O4 S |
| Smiles: | C1CN(Cc2ccccc12)S(c1cccc(c1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.23 |
| logD: | -1.4757 |
| logSw: | -3.4467 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.019 |
| InChI Key: | ZGVIUMKHTXKKOX-UHFFFAOYSA-N |