3-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-1,5-dimethyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-1,5-dimethyl-1H-indole-2-carboxylic acid
3-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-1,5-dimethyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C294-1260 |
| Compound Name: | 3-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-1,5-dimethyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 397.39 |
| Molecular Formula: | C20 H19 N3 O6 |
| Smiles: | Cc1ccc2c(c1)c(CC(Nc1cc(ccc1OC)[N+]([O-])=O)=O)c(C(O)=O)n2C |
| Stereo: | ACHIRAL |
| logP: | 2.7104 |
| logD: | 0.1789 |
| logSw: | -3.0228 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.15 |
| InChI Key: | KWHFPMVOHMBALX-UHFFFAOYSA-N |