N-(2-chlorophenyl)-2-(2,5-dihydroxyphenyl)-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-chlorophenyl)-2-(2,5-dihydroxyphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
N-(2-chlorophenyl)-2-(2,5-dihydroxyphenyl)-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: | E149-0201 |
| Compound Name: | N-(2-chlorophenyl)-2-(2,5-dihydroxyphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 498.97 |
| Molecular Formula: | C22 H15 Cl N4 O4 S2 |
| Smiles: | Cc1c2C(N3C(=Nc2sc1C(Nc1ccccc1[Cl])=O)SCC(c1cc(ccc1O)O)=N3)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3727 |
| logD: | 4.3042 |
| logSw: | -4.389 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.024 |
| InChI Key: | WWMWNQLJIYDHGA-UHFFFAOYSA-N |