AC1LUM9Y
3-heptylsulfanyl-12,12-dimethyl-7-(4-methylphenyl)-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-(heptylsulfanyl)-7,7-dimethyl-4-(4-methylphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one|1-(heptylthio)-7,7-dimethyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one
| Molecular Formula | C26H32N4O2S2 |
|---|---|
| Molecular Weight | 496.19666 g/mol |
| LogP | 6.31712 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.19666 |
| Monoisotopic Mass | 496.19666 |
| Heavy Atoms | 34 |
| Complexity | 1382.3193 |
Chemical Identifiers
| CAS Number | 372091-85-5 |
|---|---|
| SMILES | CCCCCCCSC1=NN=C2N1C3=C(C4=C(S3)COC(C4)(C)C)C(=O)N2C5=CC=C(C=C5)C |
Product Overview
AC1LUM9Y (CAS 372091-85-5), with molecular formula C26H32N4O2S2 and molecular weight 496.19666 g/mol. IUPAC: 3-heptylsulfanyl-12,12-dimethyl-7-(4-methylphenyl)-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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