2-({(4-chlorophenyl)[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-({(4-chlorophenyl)[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-({(4-chlorophenyl)[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
Compound ID: | Y500-5944 |
Compound Name: | 2-({(4-chlorophenyl)[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
Molecular Weight: | 512.11 |
Molecular Formula: | C25 H22 Cl N3 O S3 |
Smiles: | CCOc1ccc2c(c1)sc(n2)SC(c1ccc(cc1)[Cl])Nc1c(C#N)c2CCCCc2s1 |
Stereo: | RACEMIC MIXTURE |
logP: | 8.2854 |
logD: | 8.2853 |
logSw: | -6.9907 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 42.083 |
InChI Key: | WYRROJIYDWFLCB-QHCPKHFHSA-N |