4-(1,3-benzothiazol-2-yl)-1-{4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl}butan-1-one
Chemical Structure Depiction of
4-(1,3-benzothiazol-2-yl)-1-{4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl}butan-1-one
4-(1,3-benzothiazol-2-yl)-1-{4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl}butan-1-one
Compound characteristics
Compound ID: | J501-0186 |
Compound Name: | 4-(1,3-benzothiazol-2-yl)-1-{4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl}butan-1-one |
Molecular Weight: | 411.52 |
Molecular Formula: | C21 H25 N5 O2 S |
Smiles: | COc1c(NC2CCN(CC2)C(CCCc2nc3ccccc3s2)=O)nccn1 |
Stereo: | ACHIRAL |
logP: | 3.3886 |
logD: | 3.3885 |
logSw: | -3.8017 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.38 |
InChI Key: | HTQIDNUTENFRDX-UHFFFAOYSA-N |