ethyl 4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G793-0180 |
| Compound Name: | ethyl 4-[3-(4-bromo-2-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(cc2C)[Br])=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0826 |
| logD: | 4.0819 |
| logSw: | -4.1405 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.153 |
| InChI Key: | POKGXFBVWZUBIW-UHFFFAOYSA-N |