AC1MXKQM
2-[(7-propan-2-ylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]ethanol
Also Known As: 2-((5-(isopropylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanol|2-{[5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}ethanol
| Molecular Formula | C16H20N4OS3 |
|---|---|
| Molecular Weight | 380.07993 g/mol |
| LogP | 3.8027 |
| Topological Polar Surface Area | 63.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.07993 |
| Monoisotopic Mass | 380.07993 |
| Heavy Atoms | 24 |
| Complexity | 886.57886 |
Chemical Identifiers
| CAS Number | 877809-74-0 |
|---|---|
| SMILES | CC(C)SC1=NC2=C(C3=C(S2)CCCC3)C4=NN=C(N41)SCCO |
Product Overview
AC1MXKQM (CAS 877809-74-0), with molecular formula C16H20N4OS3 and molecular weight 380.07993 g/mol. IUPAC: 2-[(7-propan-2-ylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]ethanol.
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