3'-methyl-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
3'-methyl-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
3'-methyl-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: | 8017-4873 |
| Compound Name: | 3'-methyl-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: | 414.48 |
| Molecular Formula: | C20 H22 N4 O4 S |
| Smiles: | CC1CCN2C(C1)C1(Cc3cc(ccc23)[N+]([O-])=O)C(NC(N(CC=C)C1=O)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2907 |
| logD: | 3.0347 |
| logSw: | -3.5922 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.842 |
| InChI Key: | VRDFBBPSJLJMTB-UHFFFAOYSA-N |