methyl 4-(3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamido)benzoate
Chemical Structure Depiction of
methyl 4-(3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamido)benzoate
methyl 4-(3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamido)benzoate
Compound characteristics
| Compound ID: | E591-0100 |
| Compound Name: | methyl 4-(3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamido)benzoate |
| Molecular Weight: | 515.57 |
| Molecular Formula: | C27 H29 N7 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CCc1nnc2ccc(nn12)N1CCN(CC1)c1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2723 |
| logD: | 3.2721 |
| logSw: | -3.5497 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.416 |
| InChI Key: | NBLOENBZTPBALO-UHFFFAOYSA-N |