4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophene-2-carboxylic acid
Chemical Structure Depiction of
4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophene-2-carboxylic acid
4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophene-2-carboxylic acid
Compound characteristics
| Compound ID: | 8018-8299 |
| Compound Name: | 4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophene-2-carboxylic acid |
| Molecular Weight: | 323.39 |
| Molecular Formula: | C14 H13 N O4 S2 |
| Smiles: | C1CN(Cc2ccccc12)S(c1cc(C(O)=O)sc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3645 |
| logD: | -2.6165 |
| logSw: | -2.5432 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.038 |
| InChI Key: | NADTWWWCPKHBGR-UHFFFAOYSA-N |