ethyl 4-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
Compound ID: | G793-0144 |
Compound Name: | ethyl 4-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
Molecular Weight: | 407.31 |
Molecular Formula: | C19 H23 Br N2 O3 |
Smiles: | CCOC(c1c(C)c(CCC(Nc2ccc(c(C)c2)[Br])=O)c(C)[nH]1)=O |
Stereo: | ACHIRAL |
logP: | 4.4389 |
logD: | 4.4387 |
logSw: | -4.2687 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 54.851 |
InChI Key: | AIVWSCGYBYKWQG-UHFFFAOYSA-N |