3-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
3-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C197-0381 |
| Compound Name: | 3-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 387.23 |
| Molecular Formula: | C18 H15 Br N2 O3 |
| Smiles: | Cc1cc(ccc1NC(Cc1c2ccccc2[nH]c1C(O)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.0572 |
| logD: | 0.5028 |
| logSw: | -3.2103 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 60.946 |
| InChI Key: | KXOBLEQCBBKODD-UHFFFAOYSA-N |