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
| 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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