3-[(cycloheptylamino)methyl]-1-[(3-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-[(cycloheptylamino)methyl]-1-[(3-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
3-[(cycloheptylamino)methyl]-1-[(3-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
Compound characteristics
Compound ID: | E847-0249 |
Compound Name: | 3-[(cycloheptylamino)methyl]-1-[(3-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid |
Molecular Weight: | 408.52 |
Molecular Formula: | C25 H29 F N2 O2 |
Smiles: | Cc1ccc2c(CNC3CCCCCC3)c(C(O)=O)n(Cc3cccc(c3)F)c2c1 |
Stereo: | ACHIRAL |
logP: | 5.6126 |
logD: | 5.6126 |
logSw: | -5.303 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 40.489 |
InChI Key: | VBUXJTUVPBOVAN-UHFFFAOYSA-N |