3-(2-bromoethyl)-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-bromoethyl)-1,5-dinitro-11-(2-oxopropyl)-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
3-(2-bromoethyl)-1,5-dinitro-11-(2-oxopropyl)-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
Compound characteristics
| Compound ID: | 8013-0935 |
| Compound Name: | 3-(2-bromoethyl)-1,5-dinitro-11-(2-oxopropyl)-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one |
| Molecular Weight: | 440.25 |
| Molecular Formula: | C17 H18 Br N3 O6 |
| Smiles: | CC(CC1C2(CN(CC[Br])CC1(c1ccccc1C2=O)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9202 |
| logD: | 1.9202 |
| logSw: | -2.8193 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 94.16 |
| InChI Key: | JOCASRDDRJGRLI-UHFFFAOYSA-N |