AC1LL9DX
13-benzyl-3-methyl-7-(4-methylphenyl)-16-thia-2,4,5,7,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: Oprea1_429716|BAS 05615669|8-benzyl-1-methyl-4-(4-methylphenyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one|1-methyl-4-(4-methylphenyl)-8-benzyl-4,6,7,8,9,11-hexahydropyridino[4',3'-4,5] thiopheno[3,2-e]1,2,4-triazolo[4,3-a]pyrimidin-5-one|8-benzyl-1-methyl-4-(p-tolyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C25H23N5OS |
|---|---|
| Molecular Weight | 441.16232 g/mol |
| LogP | 4.27004 |
| Topological Polar Surface Area | 55.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.16232 |
| Monoisotopic Mass | 441.16232 |
| Heavy Atoms | 32 |
| Complexity | 1512.0715 |
Chemical Identifiers
| CAS Number | 433697-51-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4C)SC5=C3CCN(C5)CC6=CC=CC=C6 |
Product Overview
AC1LL9DX (CAS 433697-51-9), with molecular formula C25H23N5OS and molecular weight 441.16232 g/mol. IUPAC: 13-benzyl-3-methyl-7-(4-methylphenyl)-16-thia-2,4,5,7,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
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