2-(4-{[abieta-8(14),9(11),12-trien-18-yl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{[abieta-8(14),9(11),12-trien-18-yl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-(4-{[abieta-8(14),9(11),12-trien-18-yl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0338 |
| Compound Name: | 2-(4-{[abieta-8(14),9(11),12-trien-18-yl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 555.72 |
| Molecular Formula: | C34 H41 N3 O4 |
| Smiles: | CC(C)c1ccc2c(CCC3C(C)(CCCC23C)CNc2ccc(cc2[N+]([O-])=O)N2C(C3CC=CCC3C2=O)=O)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.4405 |
| logD: | 7.4405 |
| logSw: | -5.5945 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.531 |
| InChI Key: | OQUHGENJVBUBLZ-UHFFFAOYSA-N |