4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
Compound ID: | V003-4659 |
Compound Name: | 4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]benzamide |
Molecular Weight: | 550.72 |
Molecular Formula: | C30 H38 N4 O4 S |
Salt: | not_available |
Smiles: | Cc1c(C)nc(nc1N(C)CCc1ccc(c(c1)OC)OC)SCc1ccc(cc1)C(NCC1CCCO1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.9156 |
logD: | 3.8959 |
logSw: | -4.034 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.032 |
InChI Key: | PBWACQQPDYOUEX-RUZDIDTESA-N |