1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[7-(4-methylphenyl)-5-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[7-(4-methylphenyl)-5-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[7-(4-methylphenyl)-5-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | D530-0314 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[7-(4-methylphenyl)-5-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]ethan-1-one |
| Molecular Weight: | 462.55 |
| Molecular Formula: | C28 H26 N6 O |
| Smiles: | Cc1ccc(cc1)C1C=C(c2ccccc2)N(CC(N2CCc3ccccc3C2)=O)c2nnnn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8475 |
| logD: | 4.8475 |
| logSw: | -4.5237 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 56.651 |
| InChI Key: | VTHJGJYJMJSVSQ-AREMUKBSSA-N |