{4-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(4-methylpiperazin-1-yl)methanone
Chemical Structure Depiction of
{4-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(4-methylpiperazin-1-yl)methanone
{4-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(4-methylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V003-5499 |
| Compound Name: | {4-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(4-methylpiperazin-1-yl)methanone |
| Molecular Weight: | 556.77 |
| Molecular Formula: | C32 H40 N6 O S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)C/C=C/c1ccccc1)SCc1ccc(cc1)C(N1CCN(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.629 |
| logD: | 4.4983 |
| logSw: | -4.3188 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.866 |
| InChI Key: | GGZWBXOPLFCXFG-UHFFFAOYSA-N |