2-methyl-8-nitro-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
2-methyl-8-nitro-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
2-methyl-8-nitro-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
Compound ID: | K272-2409 |
Compound Name: | 2-methyl-8-nitro-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
Molecular Weight: | 325.32 |
Molecular Formula: | C17 H15 N3 O4 |
Smiles: | CC12CC(c3cc(ccc3O2)[N+]([O-])=O)NC(N1c1ccccc1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.2693 |
logD: | 3.2693 |
logSw: | -3.6571 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.458 |
InChI Key: | AFKVTCGOVIGACP-UHFFFAOYSA-N |