N-(5-chloro-2,4-dimethoxyphenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M459-5934 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 470.98 |
| Molecular Formula: | C23 H23 Cl N4 O3 S |
| Smiles: | COc1cc(c(cc1NC(CSc1nccc(n1)N1CCc2ccccc2C1)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 4.8705 |
| logD: | 4.8633 |
| logSw: | -4.9813 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.982 |
| InChI Key: | IEZZYAVCSWOESM-UHFFFAOYSA-N |