3-[(cyclooctylamino)methyl]-1,6-dimethyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-[(cyclooctylamino)methyl]-1,6-dimethyl-1H-indole-2-carboxylic acid
3-[(cyclooctylamino)methyl]-1,6-dimethyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-1385 |
| Compound Name: | 3-[(cyclooctylamino)methyl]-1,6-dimethyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 328.45 |
| Molecular Formula: | C20 H28 N2 O2 |
| Smiles: | Cc1ccc2c(CNC3CCCCCCC3)c(C(O)=O)n(C)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2077 |
| logD: | 4.2077 |
| logSw: | -4.2453 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.571 |
| InChI Key: | WHVSHMBTXWMGFN-UHFFFAOYSA-N |