2-(4-{[abieta-8(14),9(11),12-trien-18-yl]amino}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{[abieta-8(14),9(11),12-trien-18-yl]amino}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
2-(4-{[abieta-8(14),9(11),12-trien-18-yl]amino}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0669 |
| Compound Name: | 2-(4-{[abieta-8(14),9(11),12-trien-18-yl]amino}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 571.76 |
| Molecular Formula: | C35 H45 N3 O4 |
| Smiles: | CC1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)NCC1(C)CCCC2(C)C1CCc1cc(ccc12)C(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.8789 |
| logD: | 7.8789 |
| logSw: | -5.6555 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.531 |
| InChI Key: | RDAQTXVLRURFPZ-UHFFFAOYSA-N |