2-{2-[(6-methylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-{2-[(6-methylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-{2-[(6-methylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
Compound ID: | D306-0539 |
Compound Name: | 2-{2-[(6-methylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
Molecular Weight: | 362.47 |
Molecular Formula: | C16 H18 N4 O2 S2 |
Smiles: | Cc1cc(ncn1)SCC(Nc1c(C(N)=O)c2CCCCc2s1)=O |
Stereo: | ACHIRAL |
logP: | 1.2607 |
logD: | 0.9449 |
logSw: | -2.2753 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 75.867 |
InChI Key: | VELGUIWWZASCQX-UHFFFAOYSA-N |