(3RS)-1-(4-ethoxy-3-hydroxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Chemical Structure Depiction of
(3RS)-1-(4-ethoxy-3-hydroxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
(3RS)-1-(4-ethoxy-3-hydroxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y042-8003 |
| Compound Name: | (3RS)-1-(4-ethoxy-3-hydroxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C20 H20 N2 O4 |
| Smiles: | CCOc1ccc(cc1O)C1c2c(C[C@@H](C(O)=O)N1)c1ccccc1[nH]2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7549 |
| logD: | -0.7805 |
| logSw: | -2.3344 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 74.966 |
| InChI Key: | RFWQOKDGSGXSCY-BUSXIPJBSA-N |