2-{4-[benzyl(ethyl)amino]-3-nitrophenyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[benzyl(ethyl)amino]-3-nitrophenyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
2-{4-[benzyl(ethyl)amino]-3-nitrophenyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0682 |
| Compound Name: | 2-{4-[benzyl(ethyl)amino]-3-nitrophenyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C24 H27 N3 O4 |
| Smiles: | CCN(Cc1ccccc1)c1ccc(cc1[N+]([O-])=O)N1C(C2CCC(C)CC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0315 |
| logD: | 4.0315 |
| logSw: | -4.1774 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.592 |
| InChI Key: | PVBKAVQLPVVWKM-UHFFFAOYSA-N |