1,4-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1,4-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]-1H-pyrrole-3-carboxylic acid
1,4-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0258 |
| Compound Name: | 1,4-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 286.33 |
| Molecular Formula: | C16 H18 N2 O3 |
| Smiles: | Cc1cccc(c1)NC(Cc1c(C(O)=O)c(C)cn1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2642 |
| logD: | 0.465 |
| logSw: | -2.5508 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.091 |
| InChI Key: | OOWQQAKFQOVSHG-UHFFFAOYSA-N |