N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K802-0254 |
| Compound Name: | N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 470.5 |
| Molecular Formula: | C21 H15 F N4 O4 S2 |
| Smiles: | Cc1c2C(N(C)C=Nc2sc1C(Nc1cc(cc(c1)Sc1ccc(cc1)F)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0767 |
| logD: | 4.0283 |
| logSw: | -4.3917 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.429 |
| InChI Key: | XBJTUHWKWRAMME-UHFFFAOYSA-N |