methyl 2-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
Chemical Structure Depiction of
methyl 2-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
methyl 2-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
Compound characteristics
| Compound ID: | K310-0034 |
| Compound Name: | methyl 2-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate |
| Molecular Weight: | 483.52 |
| Molecular Formula: | C22 H17 N3 O6 S2 |
| Smiles: | CCOc1cccc2C=C(C3CSC4=Nc5c(C(N4N=3)=O)c(C)c(C(=O)OC)s5)C(=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 3.4134 |
| logD: | 3.4134 |
| logSw: | -3.8645 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.456 |
| InChI Key: | STOAEPOFBLKFLB-UHFFFAOYSA-N |