3-ethyl-1,5-dinitro-11-(2-oxopropyl)-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
Chemical Structure Depiction of
3-ethyl-1,5-dinitro-11-(2-oxopropyl)-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
3-ethyl-1,5-dinitro-11-(2-oxopropyl)-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
Compound characteristics
| Compound ID: | 8013-4957 |
| Compound Name: | 3-ethyl-1,5-dinitro-11-(2-oxopropyl)-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one |
| Molecular Weight: | 361.35 |
| Molecular Formula: | C17 H19 N3 O6 |
| Smiles: | CCN1CC2(C(CC(C)=O)C(C1)(c1ccccc1C2=O)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5454 |
| logD: | 1.5446 |
| logSw: | -2.5829 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 93.906 |
| InChI Key: | JWYLXXIYJHBGDO-UHFFFAOYSA-N |