[1-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Chemical Structure Depiction of
[1-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
[1-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Compound characteristics
| Compound ID: | D351-2689 |
| Compound Name: | [1-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone |
| Molecular Weight: | 444.92 |
| Molecular Formula: | C25 H21 Cl N4 O2 |
| Smiles: | COc1ccc(cc1)c1nc(C(N2CCc3ccccc3C2)=O)nn1c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.549 |
| logD: | 5.549 |
| logSw: | -6.0421 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.743 |
| InChI Key: | NQRLSEZCUZFKMP-UHFFFAOYSA-N |