3-[(cyclooctylamino)methyl]-1-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-[(cyclooctylamino)methyl]-1-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxylic acid
3-[(cyclooctylamino)methyl]-1-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0229 |
| Compound Name: | 3-[(cyclooctylamino)methyl]-1-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C26 H32 N2 O3 |
| Smiles: | COc1ccc(Cn2c(C(O)=O)c(CNC3CCCCCCC3)c3ccccc23)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4592 |
| logD: | 5.4592 |
| logSw: | -5.3802 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.033 |
| InChI Key: | MTVMEPBGQJPFOX-UHFFFAOYSA-N |