3-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-1-methyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-1-methyl-1H-indole-2-carboxylic acid
3-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-1-methyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C075-0078 |
| Compound Name: | 3-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-1-methyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C22 H24 N2 O5 |
| Smiles: | Cn1c(C(O)=O)c(CC(NCCc2ccc(c(c2)OC)OC)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 1.4084 |
| logD: | -1.1231 |
| logSw: | -2.2024 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.26 |
| InChI Key: | JEBUWNZJGFPNIX-UHFFFAOYSA-N |