3'-benzyl-1-(4-methoxyphenyl)-8'-nitro-2',3',4',4'a-tetrahydro-1'H,6'H-spiro[[1,3]diazinane-5,5'-pyrazino[1,2-a]quinoline]-2,4,6-trione
Chemical Structure Depiction of
3'-benzyl-1-(4-methoxyphenyl)-8'-nitro-2',3',4',4'a-tetrahydro-1'H,6'H-spiro[[1,3]diazinane-5,5'-pyrazino[1,2-a]quinoline]-2,4,6-trione
3'-benzyl-1-(4-methoxyphenyl)-8'-nitro-2',3',4',4'a-tetrahydro-1'H,6'H-spiro[[1,3]diazinane-5,5'-pyrazino[1,2-a]quinoline]-2,4,6-trione
Compound characteristics
| Compound ID: | 8018-0755 |
| Compound Name: | 3'-benzyl-1-(4-methoxyphenyl)-8'-nitro-2',3',4',4'a-tetrahydro-1'H,6'H-spiro[[1,3]diazinane-5,5'-pyrazino[1,2-a]quinoline]-2,4,6-trione |
| Molecular Weight: | 541.56 |
| Molecular Formula: | C29 H27 N5 O6 |
| Smiles: | COc1ccc(cc1)N1C(C2(Cc3cc(ccc3N3CCN(CC23)Cc2ccccc2)[N+]([O-])=O)C(NC1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4323 |
| logD: | 1.8764 |
| logSw: | -3.8264 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.161 |
| InChI Key: | WZRZQGAKQAARFH-UHFFFAOYSA-N |