3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-(morpholine-4-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-(morpholine-4-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one
3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-(morpholine-4-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C096-0374 |
| Compound Name: | 3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-(morpholine-4-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 535.62 |
| Molecular Formula: | C23 H26 F N5 O5 S2 |
| Smiles: | Cc1c(c2C(N(CC(N3CCN(CC3)c3ccc(cc3)F)=O)C=Nc2s1)=O)S(N1CCOCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9444 |
| logD: | 0.9444 |
| logSw: | -2.1718 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.513 |
| InChI Key: | PPSHBAKSIDCMPU-UHFFFAOYSA-N |