AC1MWSSY
3-[(4-fluorophenyl)methylsulfanyl]-12,12-dimethyl-7-phenyl-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: 1-((4-fluorobenzyl)thio)-7,7-dimethyl-4-phenyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one|1-[(4-fluorobenzyl)sulfanyl]-7,7-dimethyl-4-phenyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C25H21FN4O2S2 |
|---|---|
| Molecular Weight | 492.109 g/mol |
| LogP | 5.3776 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 492.109 |
| Monoisotopic Mass | 492.109 |
| Heavy Atoms | 34 |
| Complexity | 1587.3302 |
Chemical Identifiers
| CAS Number | 836635-87-1 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC=C(C=C5)F)C6=CC=CC=C6)C |
Product Overview
AC1MWSSY (CAS 836635-87-1), with molecular formula C25H21FN4O2S2 and molecular weight 492.109 g/mol. IUPAC: 3-[(4-fluorophenyl)methylsulfanyl]-12,12-dimethyl-7-phenyl-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
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