1-[4-(4-methoxybenzene-1-sulfonyl)piperazin-1-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one
Chemical Structure Depiction of
1-[4-(4-methoxybenzene-1-sulfonyl)piperazin-1-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one
1-[4-(4-methoxybenzene-1-sulfonyl)piperazin-1-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one
Compound characteristics
| Compound ID: | IB05-8557 |
| Compound Name: | 1-[4-(4-methoxybenzene-1-sulfonyl)piperazin-1-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C21 H25 N5 O4 S |
| Smiles: | COc1ccc(cc1)S(N1CCN(CC1)C(CCCc1nnc2ccccn12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.88 |
| logD: | 0.88 |
| logSw: | -2.18 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 144.43 |
| InChI Key: | XSMPLMAMLHBICH-UHFFFAOYSA-N |