N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | S554-0093 |
| Compound Name: | N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 373.37 |
| Molecular Formula: | C20 H15 N5 O3 |
| Smiles: | C(c1nnc2ccc(c3ccccc3)nn12)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4485 |
| logD: | 2.4485 |
| logSw: | -3.0226 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.902 |
| InChI Key: | UJTZMKVLXBANGI-UHFFFAOYSA-N |