4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-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-[(pyridin-2-yl)methyl]benzamide
4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V003-4635 |
| Compound Name: | 4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-2-yl)methyl]benzamide |
| Molecular Weight: | 557.72 |
| Molecular Formula: | C31 H35 N5 O3 S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N(C)CCc1ccc(c(c1)OC)OC)SCc1ccc(cc1)C(NCc1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4551 |
| logD: | 4.4354 |
| logSw: | -4.2898 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.92 |
| InChI Key: | YSBPTXHXBBOGED-UHFFFAOYSA-N |