AC1LLLIT
12,12,14,14-tetramethyl-4-(2-methylphenyl)-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_398966|Oprea1_838450|BAS 01024228|AG-690/12869729|8,8,10,10-tetramethyl-2-(2-methylphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine|8,8,10,10-tetramethyl-2-(o-tolyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C21H23N5S |
|---|---|
| Molecular Weight | 377.16742 g/mol |
| LogP | 4.47382 |
| Topological Polar Surface Area | 55.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 377.16742 |
| Monoisotopic Mass | 377.16742 |
| Heavy Atoms | 27 |
| Complexity | 1198.204 |
Chemical Identifiers
| CAS Number | 333775-36-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN3C=NC4=C(C3=N2)C5=C(S4)C(NC(C5)(C)C)(C)C |
Product Overview
AC1LLLIT (CAS 333775-36-3), with molecular formula C21H23N5S and molecular weight 377.16742 g/mol. IUPAC: 12,12,14,14-tetramethyl-4-(2-methylphenyl)-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
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