8'-nitro-1-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-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: | 8016-1255 |
| Compound Name: | 8'-nitro-1-(prop-2-en-1-yl)-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: | 402.43 |
| Molecular Formula: | C18 H18 N4 O5 S |
| Smiles: | C=CCN1C(C2(Cc3cc(ccc3N3CCOCC23)[N+]([O-])=O)C(NC1=S)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7495 |
| logD: | 1.4936 |
| logSw: | -2.5691 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.249 |
| InChI Key: | MDPRWFAINGJGMW-UHFFFAOYSA-N |