AC1MWPB0
10-[(4-tert-butylphenyl)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-tert-butylbenzyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one|2-((4-(tert-butyl)benzyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one|2-{[4-(tert-butyl)phenyl]methylthio}-3-(4-chlorophenyl)-3,5,6,7-tetrahydrocycl openta[2,1-d]pyrimidino[4,5-b]thiophen-4-one
| Molecular Formula | C26H25ClN2OS2 |
|---|---|
| Molecular Weight | 480.10968 g/mol |
| LogP | 7.1791 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.10968 |
| Monoisotopic Mass | 480.10968 |
| Heavy Atoms | 32 |
| Complexity | 1346.5889 |
Chemical Identifiers
| CAS Number | 613227-01-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2C5=CC=C(C=C5)Cl |
Product Overview
AC1MWPB0 (CAS 613227-01-3), with molecular formula C26H25ClN2OS2 and molecular weight 480.10968 g/mol. IUPAC: 10-[(4-tert-butylphenyl)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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