(3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone
(3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V026-4531 |
| Compound Name: | (3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 520.69 |
| Molecular Formula: | C29 H36 N4 O3 S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N(C)CCc1ccc(c(c1)OC)OC)SCc1cccc(c1)C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7007 |
| logD: | 4.681 |
| logSw: | -4.5648 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.978 |
| InChI Key: | UOPMGJCFHRZWPY-UHFFFAOYSA-N |