rel-(3aR,7aS)-2-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y502-9374 |
| Compound Name: | rel-(3aR,7aS)-2-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 414.84 |
| Molecular Formula: | C21 H19 Cl N2 O5 |
| Smiles: | [H][C@@]12CCCC[C@@]2([H])C(N(C1=O)c1cc(cc(c1)Oc1ccc(c(C)c1)[Cl])[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.9928 |
| logD: | 4.9928 |
| logSw: | -5.1138 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.201 |
| InChI Key: | KSOITPPYJGFZKT-HDICACEKSA-N |