AC1NJDMG
3-(13-benzyl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)phenol
Also Known As: 3-(9-benzyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenol
CAS: 902329-75-3
| Molecular Formula | C23H19N5OS |
|---|---|
| Molecular Weight | 413.13104 g/mol |
| LogP | 4.2699 |
| Topological Polar Surface Area | 66.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.13104 |
| Monoisotopic Mass | 413.13104 |
| Heavy Atoms | 30 |
| Complexity | 1374.9205 |
Chemical Identifiers
| CAS Number | 902329-75-3 |
|---|---|
| SMILES | C1CN(CC2=C1C3=C(S2)N=CN4C3=NC(=N4)C5=CC(=CC=C5)O)CC6=CC=CC=C6 |
Product Overview
AC1NJDMG (CAS 902329-75-3), with molecular formula C23H19N5OS and molecular weight 413.13104 g/mol. IUPAC: 3-(13-benzyl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)phenol.
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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