3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-methylpyrimidin-2-yl)sulfanyl]methyl}-N-[2-(dimethylamino)ethyl]benzamide
Chemical Structure Depiction of
3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-methylpyrimidin-2-yl)sulfanyl]methyl}-N-[2-(dimethylamino)ethyl]benzamide
3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-methylpyrimidin-2-yl)sulfanyl]methyl}-N-[2-(dimethylamino)ethyl]benzamide
Compound characteristics
| Compound ID: | V003-5485 |
| Compound Name: | 3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-methylpyrimidin-2-yl)sulfanyl]methyl}-N-[2-(dimethylamino)ethyl]benzamide |
| Molecular Weight: | 523.7 |
| Molecular Formula: | C28 H37 N5 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cc(nc(n1)SCc1cccc(c1)C(NCCN(C)C)=O)N(C)CCc1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6989 |
| logD: | 2.8597 |
| logSw: | -3.9445 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.116 |
| InChI Key: | ZSBGDNNKDDYCOL-UHFFFAOYSA-N |