6-tert-butyl-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
6-tert-butyl-2-({(4-chlorophenyl)[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
6-tert-butyl-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: | Y508-7109 |
| Compound Name: | 6-tert-butyl-2-({(4-chlorophenyl)[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 568.22 |
| Molecular Formula: | C29 H30 Cl N3 O S3 |
| Smiles: | CCOc1ccc2c(c1)sc(n2)SC(c1ccc(cc1)[Cl])Nc1c(C#N)c2CCC(Cc2s1)C(C)(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 9.8426 |
| logD: | 9.8426 |
| logSw: | -7.0033 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.083 |
| InChI Key: | XDFWKVYKQUSGKD-UHFFFAOYSA-N |