3-({[(3,4-dimethoxyphenyl)methyl]amino}methyl)-1-[(4-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-({[(3,4-dimethoxyphenyl)methyl]amino}methyl)-1-[(4-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
3-({[(3,4-dimethoxyphenyl)methyl]amino}methyl)-1-[(4-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-1722 |
| Compound Name: | 3-({[(3,4-dimethoxyphenyl)methyl]amino}methyl)-1-[(4-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C27 H27 F N2 O4 |
| Smiles: | Cc1ccc2c(CNCc3ccc(c(c3)OC)OC)c(C(O)=O)n(Cc3ccc(cc3)F)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3486 |
| logD: | 4.3486 |
| logSw: | -4.4546 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.903 |
| InChI Key: | VSVRXHWAPZIIRZ-UHFFFAOYSA-N |