2-[(2-chloro-6-fluorophenyl)methyl]-4-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
2-[(2-chloro-6-fluorophenyl)methyl]-4-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
2-[(2-chloro-6-fluorophenyl)methyl]-4-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | C200-7235 |
| Compound Name: | 2-[(2-chloro-6-fluorophenyl)methyl]-4-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 514.96 |
| Molecular Formula: | C24 H20 Cl F N4 O4 S |
| Smiles: | COc1ccc(CCN2C3=NN(Cc4c(cccc4[Cl])F)C(N3c3ccsc3C2=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.2694 |
| logD: | 4.2694 |
| logSw: | -4.5343 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.193 |
| InChI Key: | YOHOQXZCCNILSQ-UHFFFAOYSA-N |