methyl 2-(2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F814-1660 |
| Compound Name: | methyl 2-(2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C23 H22 N4 O3 S |
| Smiles: | COC(c1ccccc1NC(CSc1ccc(nn1)N1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8477 |
| logD: | 3.8312 |
| logSw: | -3.8825 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.274 |
| InChI Key: | KVGIKGCTQGMLJA-UHFFFAOYSA-N |