N-(4-bromo-2-methylphenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
N-(4-bromo-2-methylphenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M459-5926 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 469.4 |
| Molecular Formula: | C22 H21 Br N4 O S |
| Smiles: | Cc1cc(ccc1NC(CSc1nccc(n1)N1CCc2ccccc2C1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.3899 |
| logD: | 5.3897 |
| logSw: | -5.2958 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.722 |
| InChI Key: | XRKWSJSAALNWEY-UHFFFAOYSA-N |