N-[(4-chlorophenyl)methyl]-2-[6-(cyclohexanesulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-[6-(cyclohexanesulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
N-[(4-chlorophenyl)methyl]-2-[6-(cyclohexanesulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | F803-0269 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-[6-(cyclohexanesulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide |
| Molecular Weight: | 463.94 |
| Molecular Formula: | C20 H22 Cl N5 O4 S |
| Smiles: | C1CCC(CC1)S(C1C=CC2=NN(CC(NCc3ccc(cc3)[Cl])=O)C(N2N=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0919 |
| logD: | 3.0919 |
| logSw: | -3.6293 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.976 |
| InChI Key: | QTJJKNPBCMOOPD-UHFFFAOYSA-N |