AC1LYYLP
11-benzyl-5-ethylsulfanyl-4-(4-methylphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: Oprea1_094362|7-benzyl-2-(ethylsulfanyl)-3-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one|7-benzyl-2-(ethylthio)-3-(p-tolyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one|7-benzyl-2-ethylsulfanyl-3-(4-methylphenyl)-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-4-one
| Molecular Formula | C25H25N3OS2 |
|---|---|
| Molecular Weight | 447.1439 g/mol |
| LogP | 5.42592 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.1439 |
| Monoisotopic Mass | 447.1439 |
| Heavy Atoms | 31 |
| Complexity | 1276.3638 |
Chemical Identifiers
| CAS Number | 351008-53-2 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C(=O)N1C5=CC=C(C=C5)C |
Product Overview
AC1LYYLP (CAS 351008-53-2), with molecular formula C25H25N3OS2 and molecular weight 447.1439 g/mol. IUPAC: 11-benzyl-5-ethylsulfanyl-4-(4-methylphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
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