1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
Compound ID: | C242-0067 |
Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
Molecular Weight: | 458.94 |
Molecular Formula: | C23 H20 Cl F N2 O3 S |
Smiles: | CCOc1ccc(cc1)N1C(c2c(C)c(C)sc2N(Cc2ccc(cc2[Cl])F)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 5.6928 |
logD: | 5.6928 |
logSw: | -6.2324 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 38.231 |
InChI Key: | YTRLFHPHCRGSLL-UHFFFAOYSA-N |