2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one
2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | M179-3677 |
| Compound Name: | 2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 471.98 |
| Molecular Formula: | C23 H23 Cl F N5 O S |
| Smiles: | C(c1ccc(cc1)[Cl])Nc1cc(ncn1)SCC(N1CCN(CC1)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.29 |
| logD: | 4.2884 |
| logSw: | -4.5198 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.592 |
| InChI Key: | PFHVMBQVSMOZJT-UHFFFAOYSA-N |