8'-nitro-1-phenyl-2-sulfanylidene-1',2',4',4'a-tetrahydro-6'H-spiro[[1,3]diazinane-5,5'-[1,4]oxazino[4,3-a]quinoline]-4,6-dione
Chemical Structure Depiction of
8'-nitro-1-phenyl-2-sulfanylidene-1',2',4',4'a-tetrahydro-6'H-spiro[[1,3]diazinane-5,5'-[1,4]oxazino[4,3-a]quinoline]-4,6-dione
8'-nitro-1-phenyl-2-sulfanylidene-1',2',4',4'a-tetrahydro-6'H-spiro[[1,3]diazinane-5,5'-[1,4]oxazino[4,3-a]quinoline]-4,6-dione
Compound characteristics
| Compound ID: | 8016-8986 |
| Compound Name: | 8'-nitro-1-phenyl-2-sulfanylidene-1',2',4',4'a-tetrahydro-6'H-spiro[[1,3]diazinane-5,5'-[1,4]oxazino[4,3-a]quinoline]-4,6-dione |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C21 H18 N4 O5 S |
| Smiles: | C1c2cc(ccc2N2CCOCC2C12C(NC(N(C2=O)c1ccccc1)=S)=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2684 |
| logD: | 1.4964 |
| logSw: | -2.9651 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.388 |
| InChI Key: | AALINAZXSVYISB-UHFFFAOYSA-N |