1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[7-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[7-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}ethan-1-one
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[7-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | L938-0551 |
| Compound Name: | 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[7-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C25 H24 F N5 O2 S |
| Smiles: | COc1ccc(cc1)c1c[nH]c2c(ncnc12)SCC(N1CCN(CC1)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2232 |
| logD: | 4.2211 |
| logSw: | -4.2062 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.231 |
| InChI Key: | HJPNOSBJERGBEC-UHFFFAOYSA-N |