N-(4-butylphenyl)-2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(4-butylphenyl)-2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
N-(4-butylphenyl)-2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | C201-1330 |
| Compound Name: | N-(4-butylphenyl)-2-[6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide |
| Molecular Weight: | 482 |
| Molecular Formula: | C24 H24 Cl N5 O2 S |
| Smiles: | CCCCc1ccc(cc1)NC(CN1C(N2C(C=CC(=N2)SCc2ccc(cc2)[Cl])=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0096 |
| logD: | 6.0096 |
| logSw: | -6.0344 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.326 |
| InChI Key: | ZPDUHTUTGOCGQN-UHFFFAOYSA-N |