7-benzyl-5,8a-dinitro-3-phenyloctahydro-1H-1,5-ethanopyrano[3,4-c]pyridin-9-one
Chemical Structure Depiction of
7-benzyl-5,8a-dinitro-3-phenyloctahydro-1H-1,5-ethanopyrano[3,4-c]pyridin-9-one
7-benzyl-5,8a-dinitro-3-phenyloctahydro-1H-1,5-ethanopyrano[3,4-c]pyridin-9-one
Compound characteristics
| Compound ID: | 8015-1225 |
| Compound Name: | 7-benzyl-5,8a-dinitro-3-phenyloctahydro-1H-1,5-ethanopyrano[3,4-c]pyridin-9-one |
| Molecular Weight: | 437.45 |
| Molecular Formula: | C23 H23 N3 O6 |
| Smiles: | C1C2C3(CN(Cc4ccccc4)CC2(C(CC3OC1c1ccccc1)=O)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1863 |
| logD: | 3.1859 |
| logSw: | -3.3681 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.971 |
| InChI Key: | RLLOUPYZGDTPCU-UHFFFAOYSA-N |