AC1MZGU7
5-(1,3-benzodioxol-5-ylmethylsulfanyl)-7-methylsulfanyl-14-propan-2-yl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: 3-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine|1,3-BENZODIOXOL-5-YLMETHYL [10-ISOPROPYL-5-(METHYLSULFANYL)-10,11-DIHYDRO-8H-PYRANO[4',3':4,5]THIENO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-3-YL] SULFIDE|3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-10-isopropyl-5-(methylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C22H22N4O3S3 |
|---|---|
| Molecular Weight | 486.08542 g/mol |
| LogP | 5.1792 |
| Topological Polar Surface Area | 70.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.08542 |
| Monoisotopic Mass | 486.08542 |
| Heavy Atoms | 32 |
| Complexity | 1333.4454 |
Chemical Identifiers
| CAS Number | 369403-37-2 |
|---|---|
| SMILES | CC(C)C1CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SC)SCC5=CC6=C(C=C5)OCO6 |
Product Overview
AC1MZGU7 (CAS 369403-37-2), with molecular formula C22H22N4O3S3 and molecular weight 486.08542 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-7-methylsulfanyl-14-propan-2-yl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
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