1-(4-{3-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{3-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
1-(4-{3-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V003-4656 |
| Compound Name: | 1-(4-{3-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one |
| Molecular Weight: | 562.71 |
| Molecular Formula: | C30 H35 F N6 O2 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(c1cccc(CSc2nc(C)c(C)c(n2)N2CCN(CC2)c2ccccc2F)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3607 |
| logD: | 4.359 |
| logSw: | -4.3534 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.026 |
| InChI Key: | RSTHXEJYKCRGQK-UHFFFAOYSA-N |