2-[4-(4-benzylpiperidine-1-carbonyl)-2-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(4-benzylpiperidine-1-carbonyl)-2-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-[4-(4-benzylpiperidine-1-carbonyl)-2-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K655-0318 |
| Compound Name: | 2-[4-(4-benzylpiperidine-1-carbonyl)-2-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 485.54 |
| Molecular Formula: | C28 H27 N3 O5 |
| Smiles: | C1CN(CCC1Cc1ccccc1)C(c1ccc(c(c1)[N+]([O-])=O)N1C(C2C3CC(C=C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3347 |
| logD: | 3.3347 |
| logSw: | -3.8525 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.881 |
| InChI Key: | HLHLNYWSQUTTEZ-UHFFFAOYSA-N |