AC1LLLI8
4-[(2,6-dimethylphenoxy)methyl]-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: Oprea1_602737|Oprea1_681954|BAS 01024193|AG-690/12869706|2-[(2,6-dimethylphenoxy)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine|2-((2,6-dimethylphenoxy)methyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine|2,6-DIMETHYLPHENYL (8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YLMETHYL) ETHER|4-(2,6-DIMETHYLPHENOXYMETHYL)-10-THIA-3,5,6,8-TETRAAZATETRACYCLO[7.7.0.0(2),?.0(1)(1),(1)?]HEXADECA-1(9),2,4,7,11(16)-PENTAENE
| Molecular Formula | C20H20N4OS |
|---|---|
| Molecular Weight | 364.13577 g/mol |
| LogP | 4.41364 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.13577 |
| Monoisotopic Mass | 364.13577 |
| Heavy Atoms | 26 |
| Complexity | 1107.6992 |
Chemical Identifiers
| CAS Number | 333775-17-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCC2=NN3C=NC4=C(C3=N2)C5=C(S4)CCCC5 |
Product Overview
AC1LLLI8 (CAS 333775-17-0), with molecular formula C20H20N4OS and molecular weight 364.13577 g/mol. IUPAC: 4-[(2,6-dimethylphenoxy)methyl]-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
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