2-[4-(morpholin-4-yl)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(morpholin-4-yl)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-[4-(morpholin-4-yl)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0499 |
| Compound Name: | 2-[4-(morpholin-4-yl)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 357.36 |
| Molecular Formula: | C18 H19 N3 O5 |
| Smiles: | C1C=CCC2C1C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N1CCOCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7454 |
| logD: | 1.7454 |
| logSw: | -2.4415 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.213 |
| InChI Key: | MWLGQRNWKMPJQN-UHFFFAOYSA-N |