AC1MWPS1 structure

AC1MWPS1

5-(2-piperidin-1-ylethylsulfanyl)-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)-pentaene

Also Known As: 3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine|5-(isopropylthio)-3-((2-(piperidin-1-yl)ethyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine

CAS: 877809-92-2
Molecular Formula C21H29N5S3
Molecular Weight 447.1585 g/mol
LogP 5.2963
Topological Polar Surface Area 46.32 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 6
Exact Mass 447.1585
Monoisotopic Mass 447.1585
Heavy Atoms 29
Complexity 1002.98914

Chemical Identifiers

CAS Number 877809-92-2
SMILES CC(C)SC1=NC2=C(C3=C(S2)CCCC3)C4=NN=C(N41)SCCN5CCCCC5

Product Overview

AC1MWPS1 (CAS 877809-92-2), with molecular formula C21H29N5S3 and molecular weight 447.1585 g/mol. IUPAC: 5-(2-piperidin-1-ylethylsulfanyl)-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)-pentaene.

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