1-(4-{5-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{5-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperazin-1-yl)ethan-1-one
1-(4-{5-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V024-9567 |
| Compound Name: | 1-(4-{5-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperazin-1-yl)ethan-1-one |
| Molecular Weight: | 555.1 |
| Molecular Formula: | C27 H31 Cl N6 O3 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(c1ccc(CSc2nc(C)cc(n2)N2CCN(CC2)c2ccccc2[Cl])o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6678 |
| logD: | 4.6676 |
| logSw: | -4.8042 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.627 |
| InChI Key: | QFMJUDZLAHGTCV-UHFFFAOYSA-N |