2-[(E)-({5-bromo-2-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)amino]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[(E)-({5-bromo-2-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)amino]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
2-[(E)-({5-bromo-2-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)amino]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 4917-0284 |
| Compound Name: | 2-[(E)-({5-bromo-2-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)amino]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 413.27 |
| Molecular Formula: | C20 H17 Br N2 O3 |
| Smiles: | C#CCOc1ccc(cc1/C=N/N1C(C2C3CCC(C=C3)C2C1=O)=O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.198 |
| logD: | 3.198 |
| logSw: | -3.3158 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.524 |
| InChI Key: | JYVQOJIERXJOCT-UHFFFAOYSA-N |