3-({[(5-bromo-2-methoxyphenyl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-({[(5-bromo-2-methoxyphenyl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
3-({[(5-bromo-2-methoxyphenyl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E847-0401 |
| Compound Name: | 3-({[(5-bromo-2-methoxyphenyl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 519.44 |
| Molecular Formula: | C28 H27 Br N2 O3 |
| Smiles: | Cc1ccc2c(CNCc3cc(ccc3OC)[Br])c(C(O)=O)n(Cc3ccc(C=C)cc3)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 6.1576 |
| logD: | 6.1576 |
| logSw: | -5.4757 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.273 |
| InChI Key: | YJYOWYVGKGMJAB-UHFFFAOYSA-N |