AC1M3KPA
1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone
Also Known As: 1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl}ethan-1-one|F1143-0986|1-(1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone|1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(5,6,7-trihydrocyclo penta[1,2-d]pyrimidino[4,5-b]thiophen-4-ylthio)ethan-1-one|1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone
| Molecular Formula | C23H19ClFN3OS2 |
|---|---|
| Molecular Weight | 471.0642 g/mol |
| LogP | 6.35504 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.0642 |
| Monoisotopic Mass | 471.0642 |
| Heavy Atoms | 31 |
| Complexity | 1344.5889 |
Chemical Identifiers
| CAS Number | 501348-45-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=C(C=C2)F)Cl)C)C(=O)CSC3=NC=NC4=C3C5=C(S4)CCC5 |
Product Overview
AC1M3KPA (CAS 501348-45-4), with molecular formula C23H19ClFN3OS2 and molecular weight 471.0642 g/mol. IUPAC: 1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone.