1-(2H-1,3-benzodioxol-5-yl)-1',2',4',4'a-tetrahydro-6'H-spiro[[1,3]diazinane-5,5'-[1,4]thiazino[4,3-a]quinoline]-2,4,6-trione
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-1',2',4',4'a-tetrahydro-6'H-spiro[[1,3]diazinane-5,5'-[1,4]thiazino[4,3-a]quinoline]-2,4,6-trione
1-(2H-1,3-benzodioxol-5-yl)-1',2',4',4'a-tetrahydro-6'H-spiro[[1,3]diazinane-5,5'-[1,4]thiazino[4,3-a]quinoline]-2,4,6-trione
Compound characteristics
| Compound ID: | Y010-1170 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-1',2',4',4'a-tetrahydro-6'H-spiro[[1,3]diazinane-5,5'-[1,4]thiazino[4,3-a]quinoline]-2,4,6-trione |
| Molecular Weight: | 437.47 |
| Molecular Formula: | C22 H19 N3 O5 S |
| Smiles: | C1c2ccccc2N2CCSCC2C12C(NC(N(C2=O)c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8495 |
| logD: | 2.7717 |
| logSw: | -3.4086 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.877 |
| InChI Key: | VZQGAPHWCYRBPY-UHFFFAOYSA-N |