1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C242-0452 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 444.91 |
| Molecular Formula: | C22 H18 Cl F N2 O3 S |
| Smiles: | Cc1c2C(N(C(N(Cc3ccc(cc3[Cl])F)c2sc1C)=O)c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4877 |
| logD: | 5.4877 |
| logSw: | -6.1811 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.651 |
| InChI Key: | QIPGBDHTUACGAC-UHFFFAOYSA-N |