3-[(3-fluorophenyl)methyl]-5-methyl-6-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(3-fluorophenyl)methyl]-5-methyl-6-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}thieno[2,3-d]pyrimidin-4(3H)-one
3-[(3-fluorophenyl)methyl]-5-methyl-6-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K840-0478 |
| Compound Name: | 3-[(3-fluorophenyl)methyl]-5-methyl-6-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 566.65 |
| Molecular Formula: | C29 H31 F N4 O5 S |
| Smiles: | Cc1c2C(N(Cc3cccc(c3)F)C=Nc2sc1C(N1CCN(CC1)Cc1ccc(c(c1OC)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2098 |
| logD: | 3.0163 |
| logSw: | -3.3326 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.494 |
| InChI Key: | GYMRRJSJGRADGB-UHFFFAOYSA-N |