3-(2-hydroxyethyl)-1,5-dinitro-11-(2-oxopropyl)-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
Chemical Structure Depiction of
3-(2-hydroxyethyl)-1,5-dinitro-11-(2-oxopropyl)-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
3-(2-hydroxyethyl)-1,5-dinitro-11-(2-oxopropyl)-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
Compound characteristics
| Compound ID: | 8012-6016 |
| Compound Name: | 3-(2-hydroxyethyl)-1,5-dinitro-11-(2-oxopropyl)-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one |
| Molecular Weight: | 377.35 |
| Molecular Formula: | C17 H19 N3 O7 |
| Smiles: | CC(CC1C2(CN(CCO)CC1(c1ccccc1C2=O)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7067 |
| logD: | 0.7066 |
| logSw: | -2.2996 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.815 |
| InChI Key: | YXKRHSBEARSTKE-UHFFFAOYSA-N |