2-[4-(4-ethoxyanilino)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(4-ethoxyanilino)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-[4-(4-ethoxyanilino)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0600 |
| Compound Name: | 2-[4-(4-ethoxyanilino)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 407.42 |
| Molecular Formula: | C22 H21 N3 O5 |
| Smiles: | CCOc1ccc(cc1)Nc1ccc(cc1[N+]([O-])=O)N1C(C2CC=CCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4606 |
| logD: | 4.4606 |
| logSw: | -4.2746 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.491 |
| InChI Key: | SVFGLKGABBYWDD-UHFFFAOYSA-N |