1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]-1H-indole-2-carboxylic acid
1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C075-0033 |
| Compound Name: | 1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 398.41 |
| Molecular Formula: | C21 H22 N2 O6 |
| Smiles: | Cn1c(C(O)=O)c(CC(Nc2cc(c(c(c2)OC)OC)OC)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 1.8348 |
| logD: | -0.6968 |
| logSw: | -2.436 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.814 |
| InChI Key: | MZRHHLLUCQDNRI-UHFFFAOYSA-N |