4-[(pentyloxy)carbonyl]phenyl 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
4-[(pentyloxy)carbonyl]phenyl 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
4-[(pentyloxy)carbonyl]phenyl 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K833-0187 |
| Compound Name: | 4-[(pentyloxy)carbonyl]phenyl 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 508.57 |
| Molecular Formula: | C27 H25 F N2 O5 S |
| Smiles: | CCCCCOC(c1ccc(cc1)OC(c1c(C)c2C(N(Cc3cccc(c3)F)C=Nc2s1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0157 |
| logD: | 6.0157 |
| logSw: | -5.3209 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.667 |
| InChI Key: | MQRSYSKCQJENNL-UHFFFAOYSA-N |