2-(3,4-dihydroxyphenyl)-N-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-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: | K310-0054 |
| Compound Name: | 2-(3,4-dihydroxyphenyl)-N-(3,5-dimethylphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 492.57 |
| Molecular Formula: | C24 H20 N4 O4 S2 |
| Smiles: | Cc1cc(C)cc(c1)NC(c1c(C)c2C(N3C(=Nc2s1)SCC(c1ccc(c(c1)O)O)=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1054 |
| logD: | 4.0972 |
| logSw: | -4.0663 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.653 |
| InChI Key: | BPOZEMJGQJXQRQ-UHFFFAOYSA-N |