1-[(4-ethenylphenyl)methyl]-3-({[(4-fluorophenyl)methyl]amino}methyl)-6-methoxy-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(4-ethenylphenyl)methyl]-3-({[(4-fluorophenyl)methyl]amino}methyl)-6-methoxy-1H-indole-2-carboxylic acid
1-[(4-ethenylphenyl)methyl]-3-({[(4-fluorophenyl)methyl]amino}methyl)-6-methoxy-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0716 |
| Compound Name: | 1-[(4-ethenylphenyl)methyl]-3-({[(4-fluorophenyl)methyl]amino}methyl)-6-methoxy-1H-indole-2-carboxylic acid |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C27 H25 F N2 O3 |
| Smiles: | COc1ccc2c(CNCc3ccc(cc3)F)c(C(O)=O)n(Cc3ccc(C=C)cc3)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.911 |
| logD: | 4.911 |
| logSw: | -4.6726 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.186 |
| InChI Key: | VEVHBZMPIIBAFK-UHFFFAOYSA-N |