1-{[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-ethoxyphenyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-{[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-ethoxyphenyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
1-{[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-ethoxyphenyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | L927-0185 |
| Compound Name: | 1-{[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-ethoxyphenyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 498.92 |
| Molecular Formula: | C23 H16 Cl F N4 O4 S |
| Smiles: | CCOc1ccc(cc1)N1C(c2c(ccs2)N(Cc2nc(c3ccc(c(c3)[Cl])F)no2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1385 |
| logD: | 5.1385 |
| logSw: | -5.6989 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.14 |
| InChI Key: | BCFLLSWLMWEHEY-UHFFFAOYSA-N |