AC1LYZ8U
10-[(4-bromophenyl)methylsulfanyl]-11-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: 2-((4-bromobenzyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one|2-[(4-bromobenzyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one|10-{[(4-bromophenyl)methyl]sulfanyl}-11-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one
| Molecular Formula | C22H16BrClN2OS2 |
|---|---|
| Molecular Weight | 501.9576 g/mol |
| LogP | 6.6441 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 501.9576 |
| Monoisotopic Mass | 501.9576 |
| Heavy Atoms | 29 |
| Complexity | 1263.4523 |
Chemical Identifiers
| CAS Number | 613227-06-8 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)Br)C5=CC=C(C=C5)Cl |
Product Overview
AC1LYZ8U (CAS 613227-06-8), with molecular formula C22H16BrClN2OS2 and molecular weight 501.9576 g/mol. IUPAC: 10-[(4-bromophenyl)methylsulfanyl]-11-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
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