3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-(4-methylpiperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-(4-methylpiperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one
3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-(4-methylpiperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C096-0462 |
| Compound Name: | 3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-(4-methylpiperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 547.67 |
| Molecular Formula: | C25 H30 F N5 O4 S2 |
| Smiles: | CC1CCN(CC1)S(c1c2C(N(CC(N3CCN(CC3)c3ccccc3F)=O)C=Nc2sc1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4358 |
| logD: | 2.4358 |
| logSw: | -2.5655 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.304 |
| InChI Key: | WXEVKGPQTUVRKF-UHFFFAOYSA-N |