2-[5,7-bis(4-methylphenyl)tetrazolo[1,5-a]pyrimidin-4(7H)-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-[5,7-bis(4-methylphenyl)tetrazolo[1,5-a]pyrimidin-4(7H)-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-[5,7-bis(4-methylphenyl)tetrazolo[1,5-a]pyrimidin-4(7H)-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | D530-0414 |
| Compound Name: | 2-[5,7-bis(4-methylphenyl)tetrazolo[1,5-a]pyrimidin-4(7H)-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 476.58 |
| Molecular Formula: | C29 H28 N6 O |
| Smiles: | Cc1ccc(cc1)C1C=C(c2ccc(C)cc2)N(CC(N2CCc3ccccc3C2)=O)c2nnnn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3759 |
| logD: | 5.3759 |
| logSw: | -5.4074 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 56.651 |
| InChI Key: | WWULTLLPYBFVOL-HHHXNRCGSA-N |