4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide
4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V003-4599 |
| Compound Name: | 4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 522.71 |
| Molecular Formula: | C29 H38 N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1ccc(CSc2nc(C)c(C)c(n2)N(C)CCc2ccc(c(c2)OC)OC)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9503 |
| logD: | 4.9306 |
| logSw: | -4.5826 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.649 |
| InChI Key: | KJBRPFPPFFMWMT-UHFFFAOYSA-N |