3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-chloro-4-fluorophenyl)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]-1H-indole-2-carboxylic acid
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C753-2634 |
| Compound Name: | 3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 466.9 |
| Molecular Formula: | C25 H20 Cl F N2 O4 |
| Smiles: | C(c1ccc2c(c1)OCO2)NCc1c2ccccc2n(Cc2ccc(cc2[Cl])F)c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9707 |
| logD: | 4.9707 |
| logSw: | -4.6846 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.758 |
| InChI Key: | YJFHNKAPLPUGAJ-UHFFFAOYSA-N |