1-(4-methoxyphenyl)-9'-(morpholin-4-yl)-8'-nitro-1',2',4',4'a-tetrahydro-6'H-spiro[[1,3]diazinane-5,5'-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
Chemical Structure Depiction of
1-(4-methoxyphenyl)-9'-(morpholin-4-yl)-8'-nitro-1',2',4',4'a-tetrahydro-6'H-spiro[[1,3]diazinane-5,5'-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
1-(4-methoxyphenyl)-9'-(morpholin-4-yl)-8'-nitro-1',2',4',4'a-tetrahydro-6'H-spiro[[1,3]diazinane-5,5'-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
Compound characteristics
| Compound ID: | 8016-0671 |
| Compound Name: | 1-(4-methoxyphenyl)-9'-(morpholin-4-yl)-8'-nitro-1',2',4',4'a-tetrahydro-6'H-spiro[[1,3]diazinane-5,5'-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione |
| Molecular Weight: | 537.53 |
| Molecular Formula: | C26 H27 N5 O8 |
| Smiles: | COc1ccc(cc1)N1C(C2(Cc3cc(c(cc3N3CCOCC23)N2CCOCC2)[N+]([O-])=O)C(NC1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8539 |
| logD: | 1.7094 |
| logSw: | -2.6047 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.853 |
| InChI Key: | ZJSWTKQQOXBXFG-UHFFFAOYSA-N |