1-[(2,5-dimethylphenyl)methyl]-3-{[(3-phenylpropyl)amino]methyl}-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(2,5-dimethylphenyl)methyl]-3-{[(3-phenylpropyl)amino]methyl}-1H-indole-2-carboxylic acid
1-[(2,5-dimethylphenyl)methyl]-3-{[(3-phenylpropyl)amino]methyl}-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C753-0254 |
| Compound Name: | 1-[(2,5-dimethylphenyl)methyl]-3-{[(3-phenylpropyl)amino]methyl}-1H-indole-2-carboxylic acid |
| Molecular Weight: | 426.56 |
| Molecular Formula: | C28 H30 N2 O2 |
| Smiles: | Cc1ccc(C)c(Cn2c(C(O)=O)c(CNCCCc3ccccc3)c3ccccc23)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.1264 |
| logD: | 6.1264 |
| logSw: | -5.3495 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.484 |
| InChI Key: | XKVHSGMOUCROQO-UHFFFAOYSA-N |