2-{[(6,7-dihydro-2,1,3-benzoxadiazol-4(5H)-ylidene)amino]oxy}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-{[(6,7-dihydro-2,1,3-benzoxadiazol-4(5H)-ylidene)amino]oxy}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-{[(6,7-dihydro-2,1,3-benzoxadiazol-4(5H)-ylidene)amino]oxy}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8017-8791 |
| Compound Name: | 2-{[(6,7-dihydro-2,1,3-benzoxadiazol-4(5H)-ylidene)amino]oxy}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 326.35 |
| Molecular Formula: | C17 H18 N4 O3 |
| Smiles: | C1C\C(c2c(C1)non2)=N/OCC(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8969 |
| logD: | 2.8969 |
| logSw: | -3.1018 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.135 |
| InChI Key: | BJJIWZBOMIEEMJ-UHFFFAOYSA-N |