N-(3,5-dimethylphenyl)-2-(8-methoxy-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-carboxamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-2-(8-methoxy-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-carboxamide
N-(3,5-dimethylphenyl)-2-(8-methoxy-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-carboxamide
Compound characteristics
| Compound ID: | K310-0051 |
| Compound Name: | N-(3,5-dimethylphenyl)-2-(8-methoxy-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-carboxamide |
| Molecular Weight: | 558.63 |
| Molecular Formula: | C28 H22 N4 O5 S2 |
| Smiles: | Cc1cc(C)cc(c1)NC(c1c(C)c2C(N3C(=Nc2s1)SCC(C1=Cc2cccc(c2OC1=O)OC)=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6507 |
| logD: | 4.6504 |
| logSw: | -4.6323 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.793 |
| InChI Key: | UWHOWFVJHCCJEA-UHFFFAOYSA-N |