AC1NA4GR
5-[(2-chlorophenyl)methylsulfanyl]-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-((2-chlorobenzyl)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|3-[(2-chlorobenzyl)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
| Molecular Formula | C21H21ClN4OS3 |
|---|---|
| Molecular Weight | 476.0566 g/mol |
| LogP | 6.1039 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.0566 |
| Monoisotopic Mass | 476.0566 |
| Heavy Atoms | 30 |
| Complexity | 1236.1688 |
Chemical Identifiers
| CAS Number | 836633-64-8 |
|---|---|
| SMILES | CC(C)C1CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SC)SCC5=CC=CC=C5Cl |
Product Overview
AC1NA4GR (CAS 836633-64-8), with molecular formula C21H21ClN4OS3 and molecular weight 476.0566 g/mol. IUPAC: 5-[(2-chlorophenyl)methylsulfanyl]-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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