3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-[2-(pyridin-2-yl)ethyl]benzamide
Chemical Structure Depiction of
3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-[2-(pyridin-2-yl)ethyl]benzamide
3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-[2-(pyridin-2-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | V026-1764 |
| Compound Name: | 3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-[2-(pyridin-2-yl)ethyl]benzamide |
| Molecular Weight: | 599.8 |
| Molecular Formula: | C34 H41 N5 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1cccc(c1)C(NCCc1ccccn1)=O)N(C)CCc1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 5.8082 |
| logD: | 5.8011 |
| logSw: | -5.4858 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.715 |
| InChI Key: | AAVCTZNYGUZLPT-UHFFFAOYSA-N |