AC1LYPNC
N-(4-acetylphenyl)-2-[(7-methylsulfanyl-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]acetamide
Also Known As: N-(4-acetylphenyl)-2-((5-(methylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide|N-(4-acetylphenyl)-2-{[5-(methylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
| Molecular Formula | C22H21N5O2S3 |
|---|---|
| Molecular Weight | 483.08572 g/mol |
| LogP | 4.8731 |
| Topological Polar Surface Area | 89.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.08572 |
| Monoisotopic Mass | 483.08572 |
| Heavy Atoms | 32 |
| Complexity | 1343.6123 |
Chemical Identifiers
| CAS Number | 836645-55-7 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C(=NC4=C3C5=C(S4)CCCC5)SC |
Product Overview
AC1LYPNC (CAS 836645-55-7), with molecular formula C22H21N5O2S3 and molecular weight 483.08572 g/mol. IUPAC: N-(4-acetylphenyl)-2-[(7-methylsulfanyl-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]acetamide.
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