methyl 4-{2-[(6-{[(4-fluorophenyl)methyl]amino}pyridazin-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(6-{[(4-fluorophenyl)methyl]amino}pyridazin-3-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(6-{[(4-fluorophenyl)methyl]amino}pyridazin-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | F814-1184 |
| Compound Name: | methyl 4-{2-[(6-{[(4-fluorophenyl)methyl]amino}pyridazin-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C21 H19 F N4 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1ccc(NCc2ccc(cc2)F)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.481 |
| logD: | 3.4809 |
| logSw: | -3.7853 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.196 |
| InChI Key: | SCKOUSNDMLRGBF-UHFFFAOYSA-N |