(3RS)-1-(2,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Chemical Structure Depiction of
(3RS)-1-(2,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
(3RS)-1-(2,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y042-8000 |
| Compound Name: | (3RS)-1-(2,4-dimethoxyphenyl)-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: | COc1ccc(C2c3c(C[C@@H](C(O)=O)N2)c2ccccc2[nH]3)c(c1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0835 |
| logD: | -0.452 |
| logSw: | -2.8643 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.382 |
| InChI Key: | TWSTVZBEFBQGQE-ATNAJCNCSA-N |