methyl (3RS)-2-acetyl-1-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Chemical Structure Depiction of
methyl (3RS)-2-acetyl-1-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
methyl (3RS)-2-acetyl-1-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Compound characteristics
| Compound ID: | Y042-8007 |
| Compound Name: | methyl (3RS)-2-acetyl-1-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate |
| Molecular Weight: | 376.45 |
| Molecular Formula: | C23 H24 N2 O3 |
| Smiles: | CC(N1C(CCc2ccccc2)c2c(C[C@H]1C(=O)OC)c1ccccc1[nH]2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5756 |
| logD: | 3.5756 |
| logSw: | -3.8527 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.285 |
| InChI Key: | MDGISEDFHJJVBF-LBAQZLPGSA-N |