2-(4-{[(1,3-dioxolan-2-yl)methyl](methyl)amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{[(1,3-dioxolan-2-yl)methyl](methyl)amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-(4-{[(1,3-dioxolan-2-yl)methyl](methyl)amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-1078 |
| Compound Name: | 2-(4-{[(1,3-dioxolan-2-yl)methyl](methyl)amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 399.4 |
| Molecular Formula: | C20 H21 N3 O6 |
| Smiles: | CN(CC1OCCO1)c1ccc(cc1[N+]([O-])=O)N1C(C2C3CC(C=C3)C2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7456 |
| logD: | 0.7456 |
| logSw: | -1.7914 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.997 |
| InChI Key: | RFVUSFYBIFTOFG-UHFFFAOYSA-N |