1-[(4-methylphenyl)methyl]-3-({[(pyridin-3-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(4-methylphenyl)methyl]-3-({[(pyridin-3-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
1-[(4-methylphenyl)methyl]-3-({[(pyridin-3-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C753-0058 |
| Compound Name: | 1-[(4-methylphenyl)methyl]-3-({[(pyridin-3-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C24 H23 N3 O2 |
| Smiles: | Cc1ccc(Cn2c(C(O)=O)c(CNCc3cccnc3)c3ccccc23)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3908 |
| logD: | 3.3908 |
| logSw: | -3.1831 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.16 |
| InChI Key: | AQQIGHLNIVVVRA-UHFFFAOYSA-N |