1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[5-(4-methylphenyl)-7-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[5-(4-methylphenyl)-7-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[5-(4-methylphenyl)-7-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | D530-0114 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[5-(4-methylphenyl)-7-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]ethan-1-one |
| Molecular Weight: | 462.55 |
| Molecular Formula: | C28 H26 N6 O |
| Smiles: | Cc1ccc(cc1)C1=CC(c2ccccc2)n2c(nnn2)N1CC(N1CCc2ccccc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9569 |
| logD: | 4.9569 |
| logSw: | -4.5559 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 56.651 |
| InChI Key: | BORNBRJETLEUGL-AREMUKBSSA-N |