N-(4-butylphenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-butylphenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
N-(4-butylphenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M459-5850 |
| Compound Name: | N-(4-butylphenyl)-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 432.59 |
| Molecular Formula: | C25 H28 N4 O S |
| Smiles: | CCCCc1ccc(cc1)NC(CSc1nccc(n1)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5409 |
| logD: | 6.5409 |
| logSw: | -5.6072 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.419 |
| InChI Key: | ZRTKYJBGWDTCRX-UHFFFAOYSA-N |