1-[(2-chloro-4-fluorophenyl)methyl]-3-[(cycloheptylamino)methyl]-6-methyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-3-[(cycloheptylamino)methyl]-6-methyl-1H-indole-2-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-3-[(cycloheptylamino)methyl]-6-methyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E847-0428 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-3-[(cycloheptylamino)methyl]-6-methyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 442.96 |
| Molecular Formula: | C25 H28 Cl F N2 O2 |
| Smiles: | Cc1ccc2c(CNC3CCCCCC3)c(C(O)=O)n(Cc3ccc(cc3[Cl])F)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 6.3529 |
| logD: | 6.3529 |
| logSw: | -5.782 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.489 |
| InChI Key: | BGUGOIDYEWEFOZ-UHFFFAOYSA-N |