AC1NC372
4-[[4-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
Also Known As: 4-[[4-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole|4-({[4-ETHYL-5-(4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-3-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}METHYL)-2-PHENYL-1,3-THIAZOLE|4-ethyl-3-{[(2-phenyl-1,3-thiazol-4-yl)methyl]sulfanyl}-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole|4-ethyl-5-[(2-phenyl(1,3-thiazol-4-yl))methylthio]-3-(4,5,6,7-tetrahydrobenzo[ b]thiophen-3-yl)-1,2,4-triazole
| Molecular Formula | C22H22N4S3 |
|---|---|
| Molecular Weight | 438.10065 g/mol |
| LogP | 6.3211 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.10065 |
| Monoisotopic Mass | 438.10065 |
| Heavy Atoms | 29 |
| Complexity | 1110.5 |
Chemical Identifiers
| CAS Number | 588675-29-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC=CC=C3)C4=CSC5=C4CCCC5 |
Product Overview
AC1NC372 (CAS 588675-29-0), with molecular formula C22H22N4S3 and molecular weight 438.10065 g/mol. IUPAC: 4-[[4-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole.
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