1-[(2,5-dimethylphenyl)methyl]-3-({[(pyridin-3-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(2,5-dimethylphenyl)methyl]-3-({[(pyridin-3-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
1-[(2,5-dimethylphenyl)methyl]-3-({[(pyridin-3-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C753-0067 |
| Compound Name: | 1-[(2,5-dimethylphenyl)methyl]-3-({[(pyridin-3-yl)methyl]amino}methyl)-1H-indole-2-carboxylic acid |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C25 H25 N3 O2 |
| Smiles: | Cc1ccc(C)c(Cn2c(C(O)=O)c(CNCc3cccnc3)c3ccccc23)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1511 |
| logD: | 4.1511 |
| logSw: | -4.0036 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.16 |
| InChI Key: | RPOKLUWGYSRJID-UHFFFAOYSA-N |