3-benzyl-1-[(2-chloro-4-fluorophenyl)methyl][1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-benzyl-1-[(2-chloro-4-fluorophenyl)methyl][1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-benzyl-1-[(2-chloro-4-fluorophenyl)methyl][1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C200-3820 |
| Compound Name: | 3-benzyl-1-[(2-chloro-4-fluorophenyl)methyl][1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 450.92 |
| Molecular Formula: | C24 H16 Cl F N2 O2 S |
| Smiles: | C(c1ccccc1)N1C(c2c(c3ccccc3s2)N(Cc2ccc(cc2[Cl])F)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5236 |
| logD: | 6.5236 |
| logSw: | -6.3961 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.171 |
| InChI Key: | JIQQVXALDWHLDZ-UHFFFAOYSA-N |