N-(4-ethylphenyl)-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(4-ethylphenyl)-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-(4-ethylphenyl)-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-0944 |
| Compound Name: | N-(4-ethylphenyl)-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 371.46 |
| Molecular Formula: | C18 H21 N5 O2 S |
| Smiles: | CCc1ccc(cc1)NC(CN1C(N2C(C=CC(=N2)SC(C)C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0027 |
| logD: | 4.0027 |
| logSw: | -3.8529 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.597 |
| InChI Key: | FTSUIDZHFNUROB-UHFFFAOYSA-N |