1-[(4-methoxyphenyl)methyl]-3-{[(3-phenylpropyl)amino]methyl}-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(4-methoxyphenyl)methyl]-3-{[(3-phenylpropyl)amino]methyl}-1H-indole-2-carboxylic acid
1-[(4-methoxyphenyl)methyl]-3-{[(3-phenylpropyl)amino]methyl}-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0235 |
| Compound Name: | 1-[(4-methoxyphenyl)methyl]-3-{[(3-phenylpropyl)amino]methyl}-1H-indole-2-carboxylic acid |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C27 H28 N2 O3 |
| Smiles: | COc1ccc(Cn2c(C(O)=O)c(CNCCCc3ccccc3)c3ccccc23)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9251 |
| logD: | 4.9251 |
| logSw: | -4.5192 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.028 |
| InChI Key: | JKAITHOCNZVDSE-UHFFFAOYSA-N |