2-(3,4-dihydroxyphenyl)-N-(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
2-(3,4-dihydroxyphenyl)-N-(4-fluorophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
2-(3,4-dihydroxyphenyl)-N-(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: | K310-0061 |
| Compound Name: | 2-(3,4-dihydroxyphenyl)-N-(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: | 482.51 |
| Molecular Formula: | C22 H15 F N4 O4 S2 |
| Smiles: | Cc1c2C(N3C(=Nc2sc1C(Nc1ccc(cc1)F)=O)SCC(c1ccc(c(c1)O)O)=N3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4415 |
| logD: | 3.3836 |
| logSw: | -3.6816 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.653 |
| InChI Key: | XBSQLUDLSWCIGI-UHFFFAOYSA-N |