3,3-dimethyl-7-[2-(morpholin-4-yl)-5-nitrophenyl]-2,4,8-trioxabicyclo[4.2.0]oct-1(6)-en-5-one
Chemical Structure Depiction of
3,3-dimethyl-7-[2-(morpholin-4-yl)-5-nitrophenyl]-2,4,8-trioxabicyclo[4.2.0]oct-1(6)-en-5-one
3,3-dimethyl-7-[2-(morpholin-4-yl)-5-nitrophenyl]-2,4,8-trioxabicyclo[4.2.0]oct-1(6)-en-5-one
Compound characteristics
| Compound ID: | 8012-8369 |
| Compound Name: | 3,3-dimethyl-7-[2-(morpholin-4-yl)-5-nitrophenyl]-2,4,8-trioxabicyclo[4.2.0]oct-1(6)-en-5-one |
| Molecular Weight: | 362.34 |
| Molecular Formula: | C17 H18 N2 O7 |
| Smiles: | CC1(C)OC2=C(C(c3cc(ccc3N3CCOCC3)[N+]([O-])=O)O2)C(=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1443 |
| logD: | 2.1443 |
| logSw: | -2.8302 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.508 |
| InChI Key: | PMEGKRFOHMXKDT-CQSZACIVSA-N |