1-[(2-chloro-4-fluorophenyl)methyl]-6-methoxy-3-({[(pyridin-3-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-6-methoxy-3-({[(pyridin-3-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-6-methoxy-3-({[(pyridin-3-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0642 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-6-methoxy-3-({[(pyridin-3-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid |
| Molecular Weight: | 453.9 |
| Molecular Formula: | C24 H21 Cl F N3 O3 |
| Smiles: | COc1ccc2c(CNCc3cccnc3)c(C(O)=O)n(Cc3ccc(cc3[Cl])F)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.9223 |
| logD: | 3.9223 |
| logSw: | -4.2026 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.704 |
| InChI Key: | YNDLLYWQJZQCKD-UHFFFAOYSA-N |