2-[3-nitro-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[3-nitro-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-[3-nitro-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-1053 |
| Compound Name: | 2-[3-nitro-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C25 H29 N3 O4 |
| Smiles: | CC1(C)CC2CC(C)(C1)CN2c1ccc(cc1[N+]([O-])=O)N1C(C2C3CC(C=C3)C2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3758 |
| logD: | 3.3758 |
| logSw: | -3.7925 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.642 |
| InChI Key: | SYRPHWDAGPSLDC-UHFFFAOYSA-N |