3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(furan-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(furan-2-yl)methyl]benzamide
3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(furan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V027-0709 |
| Compound Name: | 3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(furan-2-yl)methyl]benzamide |
| Molecular Weight: | 546.69 |
| Molecular Formula: | C30 H34 N4 O4 S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N(C)CCc1ccc(c(c1)OC)OC)SCc1cccc(c1)C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4075 |
| logD: | 5.3878 |
| logSw: | -5.4108 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.126 |
| InChI Key: | ZQSOQAZJZKRWQR-UHFFFAOYSA-N |