AC1MWT9F
2-[(14-ethyl-14-methyl-7-methylsulfanyl-13-oxa-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]-N-(2-phenylethyl)acetamide
Also Known As: 2-((10-ethyl-10-methyl-5-(methylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-phenethylacetamide|2-{[10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(2-phenylethyl)acetamide
| Molecular Formula | C24H27N5O2S3 |
|---|---|
| Molecular Weight | 513.1327 g/mol |
| LogP | 4.7533 |
| Topological Polar Surface Area | 81.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.1327 |
| Monoisotopic Mass | 513.1327 |
| Heavy Atoms | 34 |
| Complexity | 1337.137 |
Chemical Identifiers
| CAS Number | 799779-06-9 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SC)SCC(=O)NCCC5=CC=CC=C5)C |
Product Overview
AC1MWT9F (CAS 799779-06-9), with molecular formula C24H27N5O2S3 and molecular weight 513.1327 g/mol. IUPAC: 2-[(14-ethyl-14-methyl-7-methylsulfanyl-13-oxa-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]-N-(2-phenylethyl)acetamide.
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