3-ethyl-N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-ethyl-N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-ethyl-N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K821-0088 |
| Compound Name: | 3-ethyl-N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 484.53 |
| Molecular Formula: | C22 H17 F N4 O4 S2 |
| Smiles: | CCN1C=Nc2c(C1=O)c(C)c(C(Nc1cc(cc(c1)Sc1ccc(cc1)F)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.6897 |
| logD: | 4.6413 |
| logSw: | -4.6511 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.439 |
| InChI Key: | HMKZZSYRPVCXCN-UHFFFAOYSA-N |