3-[(cycloheptylamino)methyl]-1-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-[(cycloheptylamino)methyl]-1-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxylic acid
3-[(cycloheptylamino)methyl]-1-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0227 |
| Compound Name: | 3-[(cycloheptylamino)methyl]-1-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 406.52 |
| Molecular Formula: | C25 H30 N2 O3 |
| Smiles: | COc1ccc(Cn2c(C(O)=O)c(CNC3CCCCCC3)c3ccccc23)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9633 |
| logD: | 4.9633 |
| logSw: | -4.4694 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.033 |
| InChI Key: | VVPVEQUSPVANIK-UHFFFAOYSA-N |