2-[(E)-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}amino]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[(E)-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}amino]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
2-[(E)-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}amino]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8006-6788 |
| Compound Name: | 2-[(E)-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}amino]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 425.83 |
| Molecular Formula: | C21 H16 Cl N3 O5 |
| Smiles: | C1CC2C=CC1C1C2C(N(C1=O)/N=C/c1ccc(c2cc(ccc2[Cl])[N+]([O-])=O)o1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5019 |
| logD: | 3.5019 |
| logSw: | -4.0551 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.971 |
| InChI Key: | KBOUVPHBLTYJCY-UHFFFAOYSA-N |