3-ethyl-1,5-dinitro-11-(2-oxo-2-phenylethyl)-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
Chemical Structure Depiction of
3-ethyl-1,5-dinitro-11-(2-oxo-2-phenylethyl)-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
3-ethyl-1,5-dinitro-11-(2-oxo-2-phenylethyl)-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
Compound characteristics
Compound ID: | 8013-8296 |
Compound Name: | 3-ethyl-1,5-dinitro-11-(2-oxo-2-phenylethyl)-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one |
Molecular Weight: | 423.42 |
Molecular Formula: | C22 H21 N3 O6 |
Smiles: | CCN1CC2(C(CC(c3ccccc3)=O)C(C1)(c1ccccc1C2=O)[N+]([O-])=O)[N+]([O-])=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.065 |
logD: | 3.0633 |
logSw: | -3.7739 |
Hydrogen bond acceptors count: | 13 |
Polar surface area: | 93.547 |
InChI Key: | ITIAKBGSKJZALU-UHFFFAOYSA-N |