{1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazol-4-yl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Chemical Structure Depiction of
{1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazol-4-yl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone
{1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazol-4-yl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Compound characteristics
| Compound ID: | D443-1909 |
| Compound Name: | {1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazol-4-yl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone |
| Molecular Weight: | 469.93 |
| Molecular Formula: | C26 H20 Cl N5 O2 |
| Smiles: | Cc1c(C(N2CCc3ccccc3C2)=O)nnn1c1ccc2c(c1)c(c1ccc(cc1)[Cl])on2 |
| Stereo: | ACHIRAL |
| logP: | 5.3236 |
| logD: | 5.3236 |
| logSw: | -5.9962 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 64.875 |
| InChI Key: | MHIUIFPGBRQIKY-UHFFFAOYSA-N |