3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-(2-methoxyethyl)benzamide
Chemical Structure Depiction of
3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-(2-methoxyethyl)benzamide
3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-(2-methoxyethyl)benzamide
Compound characteristics
| Compound ID: | V003-5536 |
| Compound Name: | 3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-(2-methoxyethyl)benzamide |
| Molecular Weight: | 524.68 |
| Molecular Formula: | C28 H36 N4 O4 S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N(C)CCc1ccc(c(c1)OC)OC)SCc1cccc(c1)C(NCCOC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1497 |
| logD: | 4.1301 |
| logSw: | -4.2518 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.833 |
| InChI Key: | GEBBHXVUZXYDDG-UHFFFAOYSA-N |