N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide
Compound characteristics
| Compound ID: | E591-0068 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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(Nc3ccc4c(c3)OCCO4)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.1541 |
| logD: | 2.154 |
| logSw: | -2.9548 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.066 |
| InChI Key: | ADQFJZCTNCBYIR-UHFFFAOYSA-N |