AC1LLLIK
12,12,14,14-tetramethyl-4-(naphthalen-1-yloxymethyl)-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: Oprea1_304289|Oprea1_834016|BAS 01024210|AG-690/12869721|8,8,10,10-tetramethyl-2-((naphthalen-1-yloxy)methyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine|1-naphthyl (8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl ether|1-NAPHTHYL [(8,8,10,10-TETRAMETHYL-8,9,10,11-TETRAHYDROPYRIDO[4',3':4,5]THIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL)METHYL] ETHER|12,12,14,14-TETRAMETHYL-4-[(NAPHTHALEN-1-YLOXY)METHYL]-10-THIA-3,5,6,8,13-PENTAAZATETRACYCLO[7.7.0.0(2),?.0(1)(1),(1)?]HEXADECA-1(9),2,4,7,11(16)-PENTAENE|8,8,10,10-tetramethyl-2-[(naphthalen-1-yloxy)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C25H25N5OS |
|---|---|
| Molecular Weight | 443.17798 g/mol |
| LogP | 5.2306 |
| Topological Polar Surface Area | 64.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 443.17798 |
| Monoisotopic Mass | 443.17798 |
| Heavy Atoms | 32 |
| Complexity | 1491.6213 |
Chemical Identifiers
| CAS Number | 333775-22-7 |
|---|---|
| SMILES | CC1(CC2=C(C(N1)(C)C)SC3=C2C4=NC(=NN4C=N3)COC5=CC=CC6=CC=CC=C65)C |
Product Overview
AC1LLLIK (CAS 333775-22-7), with molecular formula C25H25N5OS and molecular weight 443.17798 g/mol. IUPAC: 12,12,14,14-tetramethyl-4-(naphthalen-1-yloxymethyl)-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.