1-ethyl-3-methyl-8'-nitro-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
1-ethyl-3-methyl-8'-nitro-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
1-ethyl-3-methyl-8'-nitro-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: | 8016-1258 |
| Compound Name: | 1-ethyl-3-methyl-8'-nitro-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: | 404.44 |
| Molecular Formula: | C18 H20 N4 O5 S |
| Smiles: | CCN1C(C2(Cc3cc(ccc3N3CCOCC23)[N+]([O-])=O)C(N(C)C1=S)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3616 |
| logD: | 1.3616 |
| logSw: | -2.2847 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.937 |
| InChI Key: | PHOPZJRCRZXCIH-UHFFFAOYSA-N |