N-(3,5-dimethylphenyl)-8-methyl-2-(3-nitrophenyl)-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)-8-methyl-2-(3-nitrophenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
N-(3,5-dimethylphenyl)-8-methyl-2-(3-nitrophenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
Compound characteristics
| Compound ID: | K310-0047 |
| Compound Name: | N-(3,5-dimethylphenyl)-8-methyl-2-(3-nitrophenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 505.57 |
| Molecular Formula: | C24 H19 N5 O4 S2 |
| Smiles: | Cc1cc(C)cc(c1)NC(c1c(C)c2C(N3C(=Nc2s1)SCC(c1cccc(c1)[N+]([O-])=O)=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9556 |
| logD: | 4.9548 |
| logSw: | -4.8037 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.938 |
| InChI Key: | DPCKEVBQBMUULR-UHFFFAOYSA-N |