2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-phenylacetamide
Chemical Structure Depiction of
2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-phenylacetamide
2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-phenylacetamide
Compound characteristics
| Compound ID: | F804-0901 |
| Compound Name: | 2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-phenylacetamide |
| Molecular Weight: | 343.41 |
| Molecular Formula: | C16 H17 N5 O2 S |
| Smiles: | CC(C)SC1C=CC2=NN(CC(Nc3ccccc3)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8803 |
| logD: | 2.8803 |
| logSw: | -3.3571 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.597 |
| InChI Key: | TXMHHSNUVDRCLG-UHFFFAOYSA-N |