4-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methoxyethyl)benzamide
Chemical Structure Depiction of
4-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methoxyethyl)benzamide
4-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methoxyethyl)benzamide
Compound characteristics
Compound ID: | V003-5764 |
Compound Name: | 4-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methoxyethyl)benzamide |
Molecular Weight: | 531.72 |
Molecular Formula: | C30 H37 N5 O2 S |
Salt: | not_available |
Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)C/C=C/c1ccccc1)SCc1ccc(cc1)C(NCCOC)=O |
Stereo: | ACHIRAL |
logP: | 4.8886 |
logD: | 4.8236 |
logSw: | -4.506 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.61 |
InChI Key: | AZQXCHPQVPQLIT-UHFFFAOYSA-N |