methyl (3RS)-1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Chemical Structure Depiction of
methyl (3RS)-1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
methyl (3RS)-1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Compound characteristics
| Compound ID: | Y042-8008 |
| Compound Name: | methyl (3RS)-1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C21 H20 N2 O4 |
| Smiles: | COC(c1ccc(cc1)C1c2c(C[C@@H](C(=O)OC)N1)c1ccccc1[nH]2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0569 |
| logD: | 3.053 |
| logSw: | -3.1942 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.147 |
| InChI Key: | XHFOUQLMHRDZHT-ZENAZSQFSA-N |