2-{4-[(2,2-diphenylethyl)amino]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[(2,2-diphenylethyl)amino]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-{4-[(2,2-diphenylethyl)amino]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0466 |
| Compound Name: | 2-{4-[(2,2-diphenylethyl)amino]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 467.52 |
| Molecular Formula: | C28 H25 N3 O4 |
| Smiles: | C1C=CCC2C1C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)NCC(c1ccccc1)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2292 |
| logD: | 5.2292 |
| logSw: | -5.1998 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.418 |
| InChI Key: | QOPXFZVSWFWZNG-UHFFFAOYSA-N |