5-chloro-2-methoxy-N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
Chemical Structure Depiction of
5-chloro-2-methoxy-N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
5-chloro-2-methoxy-N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | S554-0542 |
| Compound Name: | 5-chloro-2-methoxy-N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide |
| Molecular Weight: | 407.86 |
| Molecular Formula: | C21 H18 Cl N5 O2 |
| Smiles: | Cc1ccc(cc1)c1ccc2nnc(CNC(c3cc(ccc3OC)[Cl])=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 4.016 |
| logD: | 4.0134 |
| logSw: | -4.5295 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.417 |
| InChI Key: | JQVZEZJVDIUXSX-UHFFFAOYSA-N |