AC1NKXW3
4-(4-fluorophenyl)-15-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: 2-(4-fluorophenyl)-11-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine|2-(4-fluorophenyl)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
CAS: 899386-01-7
| Molecular Formula | C18H15FN4S |
|---|---|
| Molecular Weight | 338.10016 g/mol |
| LogP | 4.5849 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.10016 |
| Monoisotopic Mass | 338.10016 |
| Heavy Atoms | 24 |
| Complexity | 1064.2003 |
Chemical Identifiers
| CAS Number | 899386-01-7 |
|---|---|
| SMILES | CC1CCCC2=C1C3=C(S2)N=CN4C3=NC(=N4)C5=CC=C(C=C5)F |
Product Overview
AC1NKXW3 (CAS 899386-01-7), with molecular formula C18H15FN4S and molecular weight 338.10016 g/mol. IUPAC: 4-(4-fluorophenyl)-15-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
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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