N-(3,5-dimethylphenyl)-8-methyl-9-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)-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)-8-methyl-9-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
N-(3,5-dimethylphenyl)-8-methyl-9-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
Compound characteristics
| Compound ID: | K310-0050 |
| Compound Name: | N-(3,5-dimethylphenyl)-8-methyl-9-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 528.61 |
| Molecular Formula: | C27 H20 N4 O4 S2 |
| Smiles: | Cc1cc(C)cc(c1)NC(c1c(C)c2C(N3C(=Nc2s1)SCC(C1=Cc2ccccc2OC1=O)=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7019 |
| logD: | 4.7015 |
| logSw: | -4.5812 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.479 |
| InChI Key: | UMICEBFQCKQBER-UHFFFAOYSA-N |