{4-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-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}(pyrrolidin-1-yl)methanone
{4-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
Compound characteristics
Compound ID: | V026-5650 |
Compound Name: | {4-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone |
Molecular Weight: | 527.73 |
Molecular Formula: | C31 H37 N5 O S |
Salt: | not_available |
Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)C/C=C/c1ccccc1)SCc1ccc(cc1)C(N1CCCC1)=O |
Stereo: | ACHIRAL |
logP: | 5.5237 |
logD: | 5.4586 |
logSw: | -5.4043 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 41.756 |
InChI Key: | XDNPKVJOTOFAKE-UHFFFAOYSA-N |