N-(2,6-diethylphenyl)-2-{1-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}hydrazine-1-carbothioamide
Chemical Structure Depiction of
N-(2,6-diethylphenyl)-2-{1-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}hydrazine-1-carbothioamide
N-(2,6-diethylphenyl)-2-{1-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | K786-3931 |
| Compound Name: | N-(2,6-diethylphenyl)-2-{1-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}hydrazine-1-carbothioamide |
| Molecular Weight: | 497.66 |
| Molecular Formula: | C29 H31 N5 O S |
| Smiles: | CCc1cccc(CC)c1NC(N/N=C1C(N(CN2CCc3ccccc3C2)c2ccccc/12)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 6.3068 |
| logD: | 6.2724 |
| logSw: | -5.4974 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.013 |
| InChI Key: | QISYNHWHOYFGKT-UHFFFAOYSA-N |