[2-(3-chlorobenzene-1-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid
Chemical Structure Depiction of
[2-(3-chlorobenzene-1-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid
[2-(3-chlorobenzene-1-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid
Compound characteristics
| Compound ID: | G536-1228 |
| Compound Name: | [2-(3-chlorobenzene-1-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid |
| Molecular Weight: | 453.94 |
| Molecular Formula: | C21 H24 Cl N O6 S |
| Smiles: | CCOc1cc2CCN(C(CC(O)=O)c2cc1OCC)S(c1cccc(c1)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.44 |
| logD: | -0.361 |
| logSw: | -2.9753 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.729 |
| InChI Key: | CZIPPGVCSVUMQQ-SFHVURJKSA-N |