3-({[2-(2,5-dimethoxyphenyl)ethyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-({[2-(2,5-dimethoxyphenyl)ethyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-1H-indole-2-carboxylic acid
3-({[2-(2,5-dimethoxyphenyl)ethyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0499 |
| Compound Name: | 3-({[2-(2,5-dimethoxyphenyl)ethyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C27 H27 F N2 O4 |
| Smiles: | COc1ccc(c(CCNCc2c3ccccc3n(Cc3cccc(c3)F)c2C(O)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.4947 |
| logD: | 4.4947 |
| logSw: | -4.3691 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.658 |
| InChI Key: | LFHSSQZAPSJTAW-UHFFFAOYSA-N |