methyl (3RS)-2-(chloroacetyl)-1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Chemical Structure Depiction of
methyl (3RS)-2-(chloroacetyl)-1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
methyl (3RS)-2-(chloroacetyl)-1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Compound characteristics
| Compound ID: | Y042-8029 |
| Compound Name: | methyl (3RS)-2-(chloroacetyl)-1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate |
| Molecular Weight: | 427.84 |
| Molecular Formula: | C21 H18 Cl N3 O5 |
| Smiles: | COC([C@@H]1Cc2c3ccccc3[nH]c2C(c2ccc(cc2)[N+]([O-])=O)N1C(C[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3959 |
| logD: | 3.3959 |
| logSw: | -3.6446 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.719 |
| InChI Key: | PYNZJVIBWGVKFU-DIMJTDRSSA-N |