AC1LYSP5
2-[[12,12-dimethyl-7-(3-methylphenyl)-8-oxo-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetamide
Also Known As: 2-((7,7-dimethyl-5-oxo-4-(m-tolyl)-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide|2-{[7,7-dimethyl-4-(3-methylphenyl)-5-oxo-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
| Molecular Formula | C21H21N5O3S2 |
|---|---|
| Molecular Weight | 455.10858 g/mol |
| LogP | 2.83202 |
| Topological Polar Surface Area | 104.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.10858 |
| Monoisotopic Mass | 455.10858 |
| Heavy Atoms | 31 |
| Complexity | 1416.1656 |
Chemical Identifiers
| CAS Number | 369402-74-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)N)SC5=C3CC(OC5)(C)C |
Product Overview
AC1LYSP5 (CAS 369402-74-4), with molecular formula C21H21N5O3S2 and molecular weight 455.10858 g/mol. IUPAC: 2-[[12,12-dimethyl-7-(3-methylphenyl)-8-oxo-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetamide.
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