3-{(E)-[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-{(E)-[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-{(E)-[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | K091-1076 |
| Compound Name: | 3-{(E)-[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 406.4 |
| Molecular Formula: | C21 H18 N4 O5 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)\C=C1/C(=O)OC(c2ccc(cc2)[N+]([O-])=O)=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0821 |
| logD: | 2.0821 |
| logSw: | -2.6259 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.07 |
| InChI Key: | FACKTZFIIFHBED-UHFFFAOYSA-N |