1-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Chemical Structure Depiction of
1-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
1-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Compound characteristics
| Compound ID: | 5701-1686 |
| Compound Name: | 1-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid |
| Molecular Weight: | 487.51 |
| Molecular Formula: | C27 H25 N3 O6 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)OCc1cc(ccc1OC)C1c2c(CC(C(O)=O)N1)c1ccccc1[nH]2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.85 |
| logD: | 1.3146 |
| logSw: | -4.2336 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.146 |
| InChI Key: | FDZGIBMCXYYELL-UHFFFAOYSA-N |