2-(2,5-dihydroxyphenyl)-8-methyl-N-(4-methylphenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
Chemical Structure Depiction of
2-(2,5-dihydroxyphenyl)-8-methyl-N-(4-methylphenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
2-(2,5-dihydroxyphenyl)-8-methyl-N-(4-methylphenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
Compound characteristics
| Compound ID: | E149-0040 |
| Compound Name: | 2-(2,5-dihydroxyphenyl)-8-methyl-N-(4-methylphenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 478.55 |
| Molecular Formula: | C23 H18 N4 O4 S2 |
| Smiles: | Cc1ccc(cc1)NC(c1c(C)c2C(N3C(=Nc2s1)SCC(c1cc(ccc1O)O)=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5471 |
| logD: | 4.539 |
| logSw: | -4.1774 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.722 |
| InChI Key: | IMBSLNFMDSNLDB-UHFFFAOYSA-N |