3-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl][1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl][1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl][1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C688-1276 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl][1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 462.5 |
| Molecular Formula: | C25 H19 F N2 O4 S |
| Smiles: | COc1ccc(cc1OC)N1C(c2c(c3ccccc3s2)N(Cc2ccc(cc2)F)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7832 |
| logD: | 4.7832 |
| logSw: | -4.8964 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.82 |
| InChI Key: | PQXYWKCLEGFPKK-UHFFFAOYSA-N |