methyl (3RS)-2-(chloroacetyl)-1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Chemical Structure Depiction of
methyl (3RS)-2-(chloroacetyl)-1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
methyl (3RS)-2-(chloroacetyl)-1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Compound characteristics
| Compound ID: | Y042-7988 |
| Compound Name: | methyl (3RS)-2-(chloroacetyl)-1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate |
| Molecular Weight: | 440.88 |
| Molecular Formula: | C23 H21 Cl N2 O5 |
| Smiles: | COC(c1ccc(cc1)C1c2c(C[C@@H](C(=O)OC)N1C(C[Cl])=O)c1ccccc1[nH]2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.561 |
| logD: | 3.561 |
| logSw: | -3.7602 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.511 |
| InChI Key: | TXJZRSRTYPUYRW-YMXDCFFPSA-N |