3-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-1-methyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-1-methyl-1H-indole-2-carboxylic acid
3-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-1-methyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C075-0093 |
| Compound Name: | 3-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-1-methyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 383.36 |
| Molecular Formula: | C19 H17 N3 O6 |
| Smiles: | Cn1c(C(O)=O)c(CC(Nc2cc(ccc2OC)[N+]([O-])=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.0458 |
| logD: | -0.4858 |
| logSw: | -2.7538 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.15 |
| InChI Key: | HOZHIBYYDXEKLF-UHFFFAOYSA-N |