N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-(4-nitrophenyl)-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)-8-methyl-2-(4-nitrophenyl)-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)-8-methyl-2-(4-nitrophenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
Compound characteristics
| Compound ID: | K310-0069 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-(4-nitrophenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 535.56 |
| Molecular Formula: | C24 H17 N5 O6 S2 |
| Smiles: | Cc1c2C(N3C(=Nc2sc1C(Nc1ccc2c(c1)OCCO2)=O)SCC(c1ccc(cc1)[N+]([O-])=O)=N3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2407 |
| logD: | 3.2179 |
| logSw: | -3.7023 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.762 |
| InChI Key: | ACEYFKFKSACYCE-UHFFFAOYSA-N |