AC1MWRRP
13-tert-butyl-3-(2-methylprop-2-enylsulfanyl)-7-phenyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: ChemDiv1_021319|HMS647J01|8-(tert-butyl)-1-((2-methylallyl)thio)-4-phenyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one|8-tert-butyl-1-[(2-methylprop-2-en-1-yl)sulfanyl]-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C25H28N4OS2 |
|---|---|
| Molecular Weight | 464.17044 g/mol |
| LogP | 5.9141 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.17044 |
| Monoisotopic Mass | 464.17044 |
| Heavy Atoms | 32 |
| Complexity | 1389.0875 |
Chemical Identifiers
| CAS Number | 313702-59-9 |
|---|---|
| SMILES | CC(=C)CSC1=NN=C2N1C3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)N2C5=CC=CC=C5 |
Product Overview
AC1MWRRP (CAS 313702-59-9), with molecular formula C25H28N4OS2 and molecular weight 464.17044 g/mol. IUPAC: 13-tert-butyl-3-(2-methylprop-2-enylsulfanyl)-7-phenyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
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