AC1LXU65
7-butyl-12-[(4-fluorophenyl)methylsulfanyl]-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene
Also Known As: 4-butyl-7-((4-fluorobenzyl)thio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
CAS: 799807-58-2
| Molecular Formula | C23H22FN3S2 |
|---|---|
| Molecular Weight | 423.12393 g/mol |
| LogP | 6.5022 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.12393 |
| Monoisotopic Mass | 423.12393 |
| Heavy Atoms | 29 |
| Complexity | 1184.6411 |
Chemical Identifiers
| CAS Number | 799807-58-2 |
|---|---|
| SMILES | CCCCC1=NC2=C(C3=C1CCC3)C4=C(S2)C(=NC=N4)SCC5=CC=C(C=C5)F |
Product Overview
AC1LXU65 (CAS 799807-58-2), with molecular formula C23H22FN3S2 and molecular weight 423.12393 g/mol. IUPAC: 7-butyl-12-[(4-fluorophenyl)methylsulfanyl]-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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