9-nitro-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
9-nitro-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
9-nitro-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y043-8020 |
| Compound Name: | 9-nitro-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 410.38 |
| Molecular Formula: | C20 H18 N4 O6 |
| Smiles: | C1C2CN(C[C@H]1CN1C2=CC=C(C1=O)[N+]([O-])=O)C(c1ccc2c(c1)NC(CO2)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.2808 |
| logD: | 1.2808 |
| logSw: | -2.2378 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.686 |
| InChI Key: | CEVJHTXXORXNQT-JTDNENJMSA-N |