C22H16BrClN2O2S
9-[(4-bromophenyl)methyl]-11-(3-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione
Also Known As: 1-(4-bromobenzyl)-3-(3-chlorophenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione|1-(4-bromobenzyl)-3-(3-chlorophenyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione
CAS: 799809-70-4
| Molecular Formula | C22H16BrClN2O2S |
|---|---|
| Molecular Weight | 485.98044 g/mol |
| LogP | 5.1668 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 485.98044 |
| Monoisotopic Mass | 485.98044 |
| Heavy Atoms | 29 |
| Complexity | 1368.8242 |
Chemical Identifiers
| CAS Number | 799809-70-4 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC4=CC=C(C=C4)Br)C5=CC(=CC=C5)Cl |
Product Overview
C22H16BrClN2O2S (CAS 799809-70-4), with molecular formula C22H16BrClN2O2S and molecular weight 485.98044 g/mol. IUPAC: 9-[(4-bromophenyl)methyl]-11-(3-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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