3'-[(2-chlorophenyl)methyl]-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'-[(2-chlorophenyl)methyl]-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'-[(2-chlorophenyl)methyl]-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: | 8017-3852 |
| Compound Name: | 3'-[(2-chlorophenyl)methyl]-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: | 576.01 |
| Molecular Formula: | C29 H26 Cl N5 O6 |
| Smiles: | COc1ccc(cc1)N1C(C2(Cc3cc(ccc3N3CCN(CC23)Cc2ccccc2[Cl])[N+]([O-])=O)C(NC1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0702 |
| logD: | 3.0377 |
| logSw: | -4.4021 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.161 |
| InChI Key: | QDMPLIBLICXHAK-UHFFFAOYSA-N |