(4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-methylpyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-methylpyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone
(4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-methylpyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V024-6512 |
| Compound Name: | (4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-methylpyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 506.67 |
| Molecular Formula: | C28 H34 N4 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cc(nc(n1)SCc1ccc(cc1)C(N1CCCC1)=O)N(C)CCc1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1991 |
| logD: | 4.1955 |
| logSw: | -4.2452 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.738 |
| InChI Key: | XCSDMMLPBYXLKC-UHFFFAOYSA-N |