methyl (3RS)-2-(chloroacetyl)-1-(3-chlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Chemical Structure Depiction of
methyl (3RS)-2-(chloroacetyl)-1-(3-chlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
methyl (3RS)-2-(chloroacetyl)-1-(3-chlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Compound characteristics
| Compound ID: | Y042-7989 |
| Compound Name: | methyl (3RS)-2-(chloroacetyl)-1-(3-chlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate |
| Molecular Weight: | 417.29 |
| Molecular Formula: | C21 H18 Cl2 N2 O3 |
| Smiles: | COC([C@@H]1Cc2c3ccccc3[nH]c2C(c2cccc(c2)[Cl])N1C(C[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0732 |
| logD: | 4.0732 |
| logSw: | -4.4981 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.338 |
| InChI Key: | MPPZFDRTICNIKT-DIMJTDRSSA-N |