ethyl 5-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G726-1164 |
| Compound Name: | ethyl 5-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 407.31 |
| Molecular Formula: | C19 H23 Br N2 O3 |
| Smiles: | CCOC(c1c(C)c(CCC(Nc2ccc(c(C)c2)[Br])=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1074 |
| logD: | 4.1072 |
| logSw: | -4.3099 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.347 |
| InChI Key: | LLLHWMDYRXLPJN-UHFFFAOYSA-N |