methyl 2-(6-hexyl-7-hydroxy-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-(6-hexyl-7-hydroxy-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-(6-hexyl-7-hydroxy-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: | K310-0012 |
| Compound Name: | methyl 2-(6-hexyl-7-hydroxy-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: | 539.63 |
| Molecular Formula: | C26 H25 N3 O6 S2 |
| Smiles: | CCCCCCc1cc2C=C(C3CSC4=Nc5c(C(N4N=3)=O)c(C)c(C(=O)OC)s5)C(=O)Oc2cc1O |
| Stereo: | ACHIRAL |
| logP: | 5.249 |
| logD: | 5.2354 |
| logSw: | -4.7299 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.109 |
| InChI Key: | ROBWUQCYLGPGGZ-UHFFFAOYSA-N |