8'-nitro-1-(prop-2-en-1-yl)-2-sulfanylidene-2',3',4',4'a-tetrahydro-1'H,6'H-spiro[[1,3]diazinane-5,5'-pyrido[1,2-a]quinoline]-4,6-dione
Chemical Structure Depiction of
8'-nitro-1-(prop-2-en-1-yl)-2-sulfanylidene-2',3',4',4'a-tetrahydro-1'H,6'H-spiro[[1,3]diazinane-5,5'-pyrido[1,2-a]quinoline]-4,6-dione
8'-nitro-1-(prop-2-en-1-yl)-2-sulfanylidene-2',3',4',4'a-tetrahydro-1'H,6'H-spiro[[1,3]diazinane-5,5'-pyrido[1,2-a]quinoline]-4,6-dione
Compound characteristics
| Compound ID: | 8016-1253 |
| Compound Name: | 8'-nitro-1-(prop-2-en-1-yl)-2-sulfanylidene-2',3',4',4'a-tetrahydro-1'H,6'H-spiro[[1,3]diazinane-5,5'-pyrido[1,2-a]quinoline]-4,6-dione |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C19 H20 N4 O4 S |
| Smiles: | C=CCN1C(C2(Cc3cc(ccc3N3CCCCC23)[N+]([O-])=O)C(NC1=S)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6868 |
| logD: | 2.4308 |
| logSw: | -3.2115 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.842 |
| InChI Key: | JUNDWIBVRGDXRW-UHFFFAOYSA-N |