AC1M3RNE
N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
Also Known As: F3394-0680|N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-({12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl}sulfanyl)acetamide|N-(5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl)-2-((4-oxo-3-phenyl-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide|N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide|N-[5-(p-chlorophenyl)-1,2,4-thiadiazol-3-yl]{12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.0(2),]dodeca-1(8),2(6),9-trien-10-ylthio}acetamide
| Molecular Formula | C25H18ClN5O2S3 |
|---|---|
| Molecular Weight | 551.0311 g/mol |
| LogP | 5.8386 |
| Topological Polar Surface Area | 89.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 551.0311 |
| Monoisotopic Mass | 551.0311 |
| Heavy Atoms | 36 |
| Complexity | 1644.5546 |
Chemical Identifiers
| CAS Number | 690642-72-9 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=NSC(=N4)C5=CC=C(C=C5)Cl)C6=CC=CC=C6 |
Product Overview
AC1M3RNE (CAS 690642-72-9), with molecular formula C25H18ClN5O2S3 and molecular weight 551.0311 g/mol. IUPAC: N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide.
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