3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-methylpyrimidin-2-yl)sulfanyl]methyl}-N-[2-(pyridin-2-yl)ethyl]benzamide
Chemical Structure Depiction of
3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-methylpyrimidin-2-yl)sulfanyl]methyl}-N-[2-(pyridin-2-yl)ethyl]benzamide
3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-methylpyrimidin-2-yl)sulfanyl]methyl}-N-[2-(pyridin-2-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | V005-0201 |
| Compound Name: | 3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-methylpyrimidin-2-yl)sulfanyl]methyl}-N-[2-(pyridin-2-yl)ethyl]benzamide |
| Molecular Weight: | 557.72 |
| Molecular Formula: | C31 H35 N5 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cc(nc(n1)SCc1cccc(c1)C(NCCc1ccccn1)=O)N(C)CCc1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3887 |
| logD: | 4.3851 |
| logSw: | -4.2952 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.522 |
| InChI Key: | GSZNDSDVGHBUQQ-UHFFFAOYSA-N |