N-(5-chloro-2-methoxyphenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
N-(5-chloro-2-methoxyphenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M459-5933 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 440.95 |
| Molecular Formula: | C22 H21 Cl N4 O2 S |
| Smiles: | COc1ccc(cc1NC(CSc1nccc(n1)N1CCc2ccccc2C1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8246 |
| logD: | 4.8211 |
| logSw: | -4.7963 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.352 |
| InChI Key: | GOPPNCSWNGSLTN-UHFFFAOYSA-N |