3-[(3-fluorophenyl)methyl]-5-methyl-N-octyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-[(3-fluorophenyl)methyl]-5-methyl-N-octyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-[(3-fluorophenyl)methyl]-5-methyl-N-octyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K821-0529 |
| Compound Name: | 3-[(3-fluorophenyl)methyl]-5-methyl-N-octyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 429.56 |
| Molecular Formula: | C23 H28 F N3 O2 S |
| Smiles: | CCCCCCCCNC(c1c(C)c2C(N(Cc3cccc(c3)F)C=Nc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0881 |
| logD: | 5.088 |
| logSw: | -4.8696 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.768 |
| InChI Key: | DMMFBQQLASUYCM-UHFFFAOYSA-N |