2-{4-[(3,3-diphenylpropyl)amino]-3-nitrophenyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[(3,3-diphenylpropyl)amino]-3-nitrophenyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
2-{4-[(3,3-diphenylpropyl)amino]-3-nitrophenyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0688 |
| Compound Name: | 2-{4-[(3,3-diphenylpropyl)amino]-3-nitrophenyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 497.59 |
| Molecular Formula: | C30 H31 N3 O4 |
| Smiles: | CC1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)NCCC(c1ccccc1)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1728 |
| logD: | 6.1728 |
| logSw: | -5.3477 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.259 |
| InChI Key: | YBNIUPYXOUSMLI-UHFFFAOYSA-N |