2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | F814-1733 |
| Compound Name: | 2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C24 H24 N4 O2 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSc1ccc(nn1)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3709 |
| logD: | 4.3709 |
| logSw: | -4.3051 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.657 |
| InChI Key: | LAFQRWPMDXNITP-UHFFFAOYSA-N |