ethyl 5-[(2-bromophenyl)carbamamido]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2-bromophenyl)carbamamido]-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-[(2-bromophenyl)carbamamido]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | D039-0039 |
| Compound Name: | ethyl 5-[(2-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(Nc2ccccc2[Br])=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4613 |
| logD: | 3.4609 |
| logSw: | -3.5917 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.448 |
| InChI Key: | FNNJVSGHHFOLLO-UHFFFAOYSA-N |