3-(2-bromoethyl)-1,5-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one
Chemical Structure Depiction of
3-(2-bromoethyl)-1,5-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one
3-(2-bromoethyl)-1,5-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one
Compound characteristics
| Compound ID: | 8013-5096 |
| Compound Name: | 3-(2-bromoethyl)-1,5-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one |
| Molecular Weight: | 452.26 |
| Molecular Formula: | C18 H18 Br N3 O6 |
| Smiles: | C(C1C2(CN(CC[Br])CC1(C(C=C2)=O)[N+]([O-])=O)[N+]([O-])=O)C(c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1392 |
| logD: | 2.1392 |
| logSw: | -2.497 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 94.708 |
| InChI Key: | MTENKZVOGGZLEC-UHFFFAOYSA-N |