3-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y043-8137 |
| Compound Name: | 3-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 397.39 |
| Molecular Formula: | C20 H19 N3 O6 |
| Smiles: | C1[C@H]2CN(C[C@@H]1CN1C2=CC=C(C1=O)[N+]([O-])=O)C(C1COc2ccccc2O1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4784 |
| logD: | 2.4784 |
| logSw: | -2.5229 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.853 |
| InChI Key: | JXGAHMPERDHMLL-ACYVDPJOSA-N |