3'-(1,3-benzothiazol-2-yl)-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'-(1,3-benzothiazol-2-yl)-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'-(1,3-benzothiazol-2-yl)-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: | 8018-2496 |
| Compound Name: | 3'-(1,3-benzothiazol-2-yl)-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: | 584.61 |
| Molecular Formula: | C29 H24 N6 O6 S |
| Smiles: | COc1ccc(cc1)N1C(C2(Cc3cc(ccc3N3CCN(CC23)c2nc3ccccc3s2)[N+]([O-])=O)C(NC1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5623 |
| logD: | 4.4177 |
| logSw: | -4.3991 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.416 |
| InChI Key: | ZXLRVMZOFLKKEY-UHFFFAOYSA-N |