AC1LUPC4
8-(4-methylphenyl)sulfanyl-13-phenyl-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one
Also Known As: AF-399/40654073|5-[(4-methylphenyl)sulfanyl]-9-phenyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one|5-((4-METHYL-PH)THIO)-9-PH-8H-THIENO(2',3':4,5)PYRIMIDO(2,1-A)PHTHALAZIN-8-ONE|5-(4-methylphenylthio)-9-phenyl-7-hydrophthalazino[2,1-a]thiopheno[2,3-d]pyrim idin-8-one|9-phenyl-5-(p-tolylthio)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one|8-(4-methylphenyl)sulfanyl-13-phenyl-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one
| Molecular Formula | C26H17N3OS2 |
|---|---|
| Molecular Weight | 451.0813 g/mol |
| LogP | 6.58402 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.0813 |
| Monoisotopic Mass | 451.0813 |
| Heavy Atoms | 32 |
| Complexity | 1669.6466 |
Chemical Identifiers
| CAS Number | 374693-52-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=NN3C(=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5)C6=CC=CC=C62 |
Product Overview
AC1LUPC4 (CAS 374693-52-4), with molecular formula C26H17N3OS2 and molecular weight 451.0813 g/mol. IUPAC: 8-(4-methylphenyl)sulfanyl-13-phenyl-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one.
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