N-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(methylsulfanyl)pyrimidin-5-yl]methyl}heptan-4-amine
Chemical Structure Depiction of
N-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(methylsulfanyl)pyrimidin-5-yl]methyl}heptan-4-amine
N-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(methylsulfanyl)pyrimidin-5-yl]methyl}heptan-4-amine
Compound characteristics
| Compound ID: | V011-2107 |
| Compound Name: | N-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(methylsulfanyl)pyrimidin-5-yl]methyl}heptan-4-amine |
| Molecular Weight: | 384.59 |
| Molecular Formula: | C22 H32 N4 S |
| Smiles: | CCCC(CCC)NCc1cnc(nc1N1CCc2ccccc2C1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.6127 |
| logD: | 3.4793 |
| logSw: | -5.4667 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.838 |
| InChI Key: | UPOKFISMFLSVQK-UHFFFAOYSA-N |