N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-9-oxo-2-phenyl-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-9-oxo-2-phenyl-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-9-oxo-2-phenyl-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
Compound characteristics
| Compound ID: | K310-0066 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-9-oxo-2-phenyl-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 490.56 |
| Molecular Formula: | C24 H18 N4 O4 S2 |
| Smiles: | Cc1c2C(N3C(=Nc2sc1C(Nc1ccc2c(c1)OCCO2)=O)SCC(c1ccccc1)=N3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.21 |
| logD: | 3.183 |
| logSw: | -3.5465 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.38 |
| InChI Key: | LQBPQVCYSYCPBY-UHFFFAOYSA-N |