3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-chloro-4-fluorophenyl)methyl]-6-methoxy-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-methoxy-1H-indole-2-carboxylic acid
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-chloro-4-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0655 |
| Compound Name: | 3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-chloro-4-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid |
| Molecular Weight: | 496.92 |
| Molecular Formula: | C26 H22 Cl F N2 O5 |
| Smiles: | COc1ccc2c(CNCc3ccc4c(c3)OCO4)c(C(O)=O)n(Cc3ccc(cc3[Cl])F)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0631 |
| logD: | 5.0631 |
| logSw: | -4.9275 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.302 |
| InChI Key: | DJHUYGWUQZWPCJ-UHFFFAOYSA-N |