methyl 4-[3-(6-{[(4-chlorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate
Chemical Structure Depiction of
methyl 4-[3-(6-{[(4-chlorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate
methyl 4-[3-(6-{[(4-chlorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | G395-1428 |
| Compound Name: | methyl 4-[3-(6-{[(4-chlorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate |
| Molecular Weight: | 464.91 |
| Molecular Formula: | C23 H21 Cl N6 O3 |
| Smiles: | COC(c1ccc(cc1)NC(CCc1nnc2ccc(NCc3ccc(cc3)[Cl])nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1206 |
| logD: | 3.1204 |
| logSw: | -3.7169 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.498 |
| InChI Key: | VWVWEDVMDYMJQW-UHFFFAOYSA-N |