2-(4-methoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
Chemical Structure Depiction of
2-(4-methoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
2-(4-methoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
Compound characteristics
Compound ID: | 8012-5916 |
Compound Name: | 2-(4-methoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid |
Molecular Weight: | 347.39 |
Molecular Formula: | C17 H17 N O5 S |
Smiles: | COc1ccc(cc1)S(N1CCc2ccccc2C1C(O)=O)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.5108 |
logD: | -1.825 |
logSw: | -2.5058 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 67.924 |
InChI Key: | VNXIYXDIPUEOMI-MRXNPFEDSA-N |