ethyl 5-[(4-bromophenyl)carbamamido]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(4-bromophenyl)carbamamido]-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-[(4-bromophenyl)carbamamido]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
Compound ID: | D039-0041 |
Compound Name: | ethyl 5-[(4-bromophenyl)carbamamido]-2,4-dimethyl-1H-pyrrole-3-carboxylate |
Molecular Weight: | 380.24 |
Molecular Formula: | C16 H18 Br N3 O3 |
Smiles: | CCOC(c1c(C)c(NC(Nc2ccc(cc2)[Br])=O)[nH]c1C)=O |
Stereo: | ACHIRAL |
logP: | 4.0315 |
logD: | 4.0314 |
logSw: | -4.2533 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 64.146 |
InChI Key: | ZUMZARNXTMBRMZ-UHFFFAOYSA-N |