3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-[4-(pyrimidin-2-yl)piperazine-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-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one
3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C210-0039 |
| Compound Name: | 3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 612.7 |
| Molecular Formula: | C27 H29 F N8 O4 S2 |
| Smiles: | Cc1c(c2C(N(CC(N3CCN(CC3)c3ccccc3F)=O)C=Nc2s1)=O)S(N1CCN(CC1)c1ncccn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.848 |
| logD: | 1.8479 |
| logSw: | -2.3644 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 98.927 |
| InChI Key: | RMFRYIUAKLXLEK-UHFFFAOYSA-N |