1-(4-{4-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{4-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
1-(4-{4-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V027-0417 |
| Compound Name: | 1-(4-{4-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one |
| Molecular Weight: | 610.75 |
| Molecular Formula: | C34 H35 F N6 O2 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(c1ccc(CSc2nc(cc(n2)N2CCN(CC2)c2ccccc2F)c2ccccc2)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.651 |
| logD: | 5.6507 |
| logSw: | -5.5046 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.708 |
| InChI Key: | YTNRMYMOWKAPNS-UHFFFAOYSA-N |