3-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-1-methyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-1-methyl-1H-indole-2-carboxylic acid
3-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-1-methyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C075-0013 |
| Compound Name: | 3-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-1-methyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 401.26 |
| Molecular Formula: | C19 H17 Br N2 O3 |
| Smiles: | Cc1ccc(c(c1)[Br])NC(Cc1c2ccccc2n(C)c1C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2356 |
| logD: | 0.7041 |
| logSw: | -3.393 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.138 |
| InChI Key: | HHKGYKALFPVDBI-UHFFFAOYSA-N |