2-[(2,4-dimethylphenyl)methyl]-8-[4-(4-fluorophenyl)piperazine-1-sulfonyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
2-[(2,4-dimethylphenyl)methyl]-8-[4-(4-fluorophenyl)piperazine-1-sulfonyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-[(2,4-dimethylphenyl)methyl]-8-[4-(4-fluorophenyl)piperazine-1-sulfonyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | M113-1636 |
| Compound Name: | 2-[(2,4-dimethylphenyl)methyl]-8-[4-(4-fluorophenyl)piperazine-1-sulfonyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 495.58 |
| Molecular Formula: | C25 H26 F N5 O3 S |
| Smiles: | Cc1ccc(CN2C(N3C=CC=C(C3=N2)S(N2CCN(CC2)c2ccc(cc2)F)(=O)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1547 |
| logD: | 4.1547 |
| logSw: | -4.0926 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.273 |
| InChI Key: | BVWJZGCCLCEZRJ-UHFFFAOYSA-N |