N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide
Compound characteristics
| Compound ID: | E591-0036 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide |
| Molecular Weight: | 515.57 |
| Molecular Formula: | C27 H29 N7 O4 |
| Smiles: | COc1cccc(c1)N1CCN(CC1)c1ccc2nnc(CCC(NCc3ccc4c(c3)OCO4)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7949 |
| logD: | 2.7949 |
| logSw: | -3.3077 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.68 |
| InChI Key: | WYNZGMLPTFPKAU-UHFFFAOYSA-N |