ethyl 4-[(3-bromophenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[(3-bromophenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[(3-bromophenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | C722-0136 |
| Compound Name: | ethyl 4-[(3-bromophenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 365.22 |
| Molecular Formula: | C16 H17 Br N2 O3 |
| Smiles: | [H]n1c(C)c(C(Nc2cccc(c2)[Br])=O)c(C)c1C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.9237 |
| logD: | 3.8943 |
| logSw: | -4.1941 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.065 |
| InChI Key: | XVIVCBDGNHKHTN-UHFFFAOYSA-N |