3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C197-0379 |
| Compound Name: | 3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 388.81 |
| Molecular Formula: | C19 H17 Cl N2 O5 |
| Smiles: | COc1cc(c(cc1NC(Cc1c2ccccc2[nH]c1C(O)=O)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 2.5378 |
| logD: | -0.0166 |
| logSw: | -2.9727 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.207 |
| InChI Key: | SMBYPJNFAQZWHQ-UHFFFAOYSA-N |