methyl (3RS)-2-acetyl-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Chemical Structure Depiction of
methyl (3RS)-2-acetyl-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
methyl (3RS)-2-acetyl-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Compound characteristics
| Compound ID: | Y042-7992 |
| Compound Name: | methyl (3RS)-2-acetyl-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate |
| Molecular Weight: | 362.43 |
| Molecular Formula: | C22 H22 N2 O3 |
| Smiles: | CC(N1C(c2ccc(C)cc2)c2c(C[C@H]1C(=O)OC)c1ccccc1[nH]2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7451 |
| logD: | 3.7451 |
| logSw: | -4.2397 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.333 |
| InChI Key: | OTLRGBJJBMKOLU-ZQRQZVKFSA-N |