3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E847-0435 |
| Compound Name: | 3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 480.92 |
| Molecular Formula: | C26 H22 Cl F N2 O4 |
| Smiles: | Cc1ccc2c(CNCc3ccc4c(c3)OCO4)c(C(O)=O)n(Cc3ccc(cc3[Cl])F)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 5.4802 |
| logD: | 5.4802 |
| logSw: | -5.5974 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.758 |
| InChI Key: | LOARDKHFGNDALN-UHFFFAOYSA-N |