N-benzyl-3-[({4-phenyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide
Chemical Structure Depiction of
N-benzyl-3-[({4-phenyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide
N-benzyl-3-[({4-phenyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide
Compound characteristics
Compound ID: | V002-9309 |
Compound Name: | N-benzyl-3-[({4-phenyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide |
Molecular Weight: | 611.81 |
Molecular Formula: | C38 H37 N5 O S |
Salt: | not_available |
Smiles: | C(c1ccccc1)NC(c1cccc(CSc2nc(cc(n2)N2CCN(CC2)C/C=C/c2ccccc2)c2ccccc2)c1)=O |
Stereo: | ACHIRAL |
logP: | 8.1858 |
logD: | 8.1725 |
logSw: | -6.1449 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.837 |
InChI Key: | BDTFILLAFKAFNW-UHFFFAOYSA-N |