5-[(3,4-dihydroisoquinolin-2(1H)-yl)(4-nitrophenyl)methyl]-2-(furan-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Chemical Structure Depiction of
5-[(3,4-dihydroisoquinolin-2(1H)-yl)(4-nitrophenyl)methyl]-2-(furan-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
5-[(3,4-dihydroisoquinolin-2(1H)-yl)(4-nitrophenyl)methyl]-2-(furan-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Compound characteristics
| Compound ID: | G857-1856 |
| Compound Name: | 5-[(3,4-dihydroisoquinolin-2(1H)-yl)(4-nitrophenyl)methyl]-2-(furan-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol |
| Molecular Weight: | 473.51 |
| Molecular Formula: | C24 H19 N5 O4 S |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc(cc1)[N+]([O-])=O)c1c(n2c(nc(c3ccco3)n2)s1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5581 |
| logD: | 1.4983 |
| logSw: | -4.353 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.516 |
| InChI Key: | LWLHJWAHCNAFLN-HXUWFJFHSA-N |