3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(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-[(4-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(4-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-1686 |
| Compound Name: | 3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(4-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C26 H23 F N2 O4 |
| Smiles: | Cc1ccc2c(CNCc3ccc4c(c3)OCO4)c(C(O)=O)n(Cc3ccc(cc3)F)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6468 |
| logD: | 4.6468 |
| logSw: | -4.484 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.758 |
| InChI Key: | VRLHZXMLLNPFAZ-UHFFFAOYSA-N |