2-[2-(4-methoxyphenyl)ethenyl]-1-(4-nitrophenyl)-1H-pyrido[3,2-b]indole-3-carboxylic acid
Chemical Structure Depiction of
2-[2-(4-methoxyphenyl)ethenyl]-1-(4-nitrophenyl)-1H-pyrido[3,2-b]indole-3-carboxylic acid
2-[2-(4-methoxyphenyl)ethenyl]-1-(4-nitrophenyl)-1H-pyrido[3,2-b]indole-3-carboxylic acid
Compound characteristics
| Compound ID: | 5816-0057 |
| Compound Name: | 2-[2-(4-methoxyphenyl)ethenyl]-1-(4-nitrophenyl)-1H-pyrido[3,2-b]indole-3-carboxylic acid |
| Molecular Weight: | 465.46 |
| Molecular Formula: | C27 H19 N3 O5 |
| Smiles: | COc1ccc(/C=C/c2c(cc3c(c4ccccc4n3)n2c2ccc(cc2)[N+]([O-])=O)C(O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.543 |
| logD: | 3.2417 |
| logSw: | -5.7786 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.848 |
| InChI Key: | QDEYTWCKRZNYRF-UHFFFAOYSA-N |