ethyl 3,6-dicarbamoyl-1-cyano-2-(3-iodophenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Chemical Structure Depiction of
ethyl 3,6-dicarbamoyl-1-cyano-2-(3-iodophenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
ethyl 3,6-dicarbamoyl-1-cyano-2-(3-iodophenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Compound characteristics
| Compound ID: | 8004-3479 |
| Compound Name: | ethyl 3,6-dicarbamoyl-1-cyano-2-(3-iodophenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate |
| Molecular Weight: | 506.3 |
| Molecular Formula: | C20 H19 I N4 O4 |
| Smiles: | CCOC(C1(C#N)C(C(C(N)=O)N2C=C(C=CC12)C(N)=O)c1cccc(c1)I)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3099 |
| logD: | 1.3099 |
| logSw: | -2.0381 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 109.1 |
| InChI Key: | ZEQOOIMBIDRECL-UHFFFAOYSA-N |