N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorophenyl)-8-methyl-9-oxo-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)-2-(4-fluorophenyl)-8-methyl-9-oxo-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)-2-(4-fluorophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
Compound characteristics
| Compound ID: | K310-0068 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 508.55 |
| Molecular Formula: | C24 H17 F N4 O4 S2 |
| Smiles: | Cc1c2C(N3C(=Nc2sc1C(Nc1ccc2c(c1)OCCO2)=O)SCC(c1ccc(cc1)F)=N3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3441 |
| logD: | 3.3218 |
| logSw: | -3.7166 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.38 |
| InChI Key: | DNENBINWIPSZHW-UHFFFAOYSA-N |