N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F814-1657 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C23 H22 N4 O3 S |
| Smiles: | C1CN(Cc2ccccc12)c1ccc(nn1)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0957 |
| logD: | 3.0956 |
| logSw: | -3.3517 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.621 |
| InChI Key: | SAXPGTJILYUTLK-UHFFFAOYSA-N |