1-(2,3,4-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Chemical Structure Depiction of
1-(2,3,4-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
1-(2,3,4-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Compound characteristics
| Compound ID: | R052-0812 |
| Compound Name: | 1-(2,3,4-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid |
| Molecular Weight: | 382.41 |
| Molecular Formula: | C21 H22 N2 O5 |
| Smiles: | COc1ccc(C2c3c(CC(C(O)=O)N2)c2ccccc2[nH]3)c(c1OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9058 |
| logD: | -0.6296 |
| logSw: | -2.5608 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.272 |
| InChI Key: | NEEYWOPERFZLCV-UHFFFAOYSA-N |