2-(5-chlorothiophen-2-yl)-N-(2,4-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-(5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
2-(5-chlorothiophen-2-yl)-N-(2,4-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: | K310-0018 |
| Compound Name: | 2-(5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 501.05 |
| Molecular Formula: | C22 H17 Cl N4 O2 S3 |
| Smiles: | Cc1ccc(c(C)c1)NC(c1c(C)c2C(N3C(=Nc2s1)SCC(c1ccc(s1)[Cl])=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5869 |
| logD: | 5.5846 |
| logSw: | -6.1215 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.877 |
| InChI Key: | ULYFWZHMNVXQAG-UHFFFAOYSA-N |