N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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: | K310-0053 |
| Compound Name: | N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C24 H19 F N4 O2 S2 |
| Smiles: | Cc1cc(C)cc(c1)NC(c1c(C)c2C(N3C(=Nc2s1)SCC(c1ccc(cc1)F)=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0646 |
| logD: | 5.0589 |
| logSw: | -4.8488 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.557 |
| InChI Key: | FHUKJLCFCIGZJV-UHFFFAOYSA-N |