3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-methylpyrimidin-2-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-methylpyrimidin-2-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide
3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-methylpyrimidin-2-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V025-8380 |
| Compound Name: | 3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-methylpyrimidin-2-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 508.68 |
| Molecular Formula: | C28 H36 N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1cccc(CSc2nc(C)cc(n2)N(C)CCc2ccc(c(c2)OC)OC)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9484 |
| logD: | 4.9449 |
| logSw: | -4.6531 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.409 |
| InChI Key: | PTJHWZIWNWNUBG-UHFFFAOYSA-N |