N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | S554-0257 |
| Compound Name: | N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 407.81 |
| Molecular Formula: | C20 H14 Cl N5 O3 |
| Smiles: | C(c1nnc2ccc(c3ccc(cc3)[Cl])nn12)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1483 |
| logD: | 3.1483 |
| logSw: | -3.6746 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.902 |
| InChI Key: | SBCWKIIGUZGAEN-UHFFFAOYSA-N |