N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-({5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-imidazol-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-({5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-imidazol-2-yl}sulfanyl)acetamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-({5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-imidazol-2-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | 8017-7337 |
Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-({5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-imidazol-2-yl}sulfanyl)acetamide |
Molecular Weight: | 438.57 |
Molecular Formula: | C22 H22 N4 O2 S2 |
Smiles: | Cc1c(Cc2ccc(cc2)O)[nH]c(n1)SCC(Nc1c(C#N)c2CCCCc2s1)=O |
Stereo: | ACHIRAL |
logP: | 3.5256 |
logD: | 2.4929 |
logSw: | -3.9295 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 77.387 |
InChI Key: | MOBYTGDQEHMFRW-UHFFFAOYSA-N |