2-{2-[(4-fluorophenyl)sulfanyl]-1H-indol-3-yl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{2-[(4-fluorophenyl)sulfanyl]-1H-indol-3-yl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
2-{2-[(4-fluorophenyl)sulfanyl]-1H-indol-3-yl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | L259-0329 |
| Compound Name: | 2-{2-[(4-fluorophenyl)sulfanyl]-1H-indol-3-yl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C24 H22 F N5 O S |
| Smiles: | C(C(N1CCN(CC1)c1ncccn1)=O)c1c2ccccc2[nH]c1Sc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.4829 |
| logD: | 4.4829 |
| logSw: | -4.3672 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.191 |
| InChI Key: | MRKPTEGSLHCQKW-UHFFFAOYSA-N |