N-[(4-methoxyphenyl)methyl]-3-(6-{[(pyridin-3-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-3-(6-{[(pyridin-3-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
N-[(4-methoxyphenyl)methyl]-3-(6-{[(pyridin-3-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
Compound characteristics
| Compound ID: | G395-1041 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-3-(6-{[(pyridin-3-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide |
| Molecular Weight: | 417.47 |
| Molecular Formula: | C22 H23 N7 O2 |
| Smiles: | COc1ccc(CNC(CCc2nnc3ccc(NCc4cccnc4)nn23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 0.89 |
| logD: | 0.8608 |
| logSw: | -0.9919 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.708 |
| InChI Key: | BSVPXOXKLITWPV-UHFFFAOYSA-N |