2-[5-(4-chlorophenyl)-7-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-[5-(4-chlorophenyl)-7-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-[5-(4-chlorophenyl)-7-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | D530-0214 |
| Compound Name: | 2-[5-(4-chlorophenyl)-7-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 482.97 |
| Molecular Formula: | C27 H23 Cl N6 O |
| Smiles: | C1CN(Cc2ccccc12)C(CN1C(=CC(c2ccccc2)n2c1nnn2)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1282 |
| logD: | 5.1282 |
| logSw: | -5.822 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 56.651 |
| InChI Key: | MTQDXEKXRCWIDY-RUZDIDTESA-N |