AC1M03U5
13-[(4-nitrophenyl)methylsulfanyl]-8-propan-2-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene
Also Known As: 5-isopropyl-8-((4-nitrobenzyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline|8-[(4-nitrobenzyl)sulfanyl]-5-(propan-2-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
CAS: 577962-43-7
| Molecular Formula | C23H22N4O2S2 |
|---|---|
| Molecular Weight | 450.1184 g/mol |
| LogP | 6.4422 |
| Topological Polar Surface Area | 81.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.1184 |
| Monoisotopic Mass | 450.1184 |
| Heavy Atoms | 31 |
| Complexity | 1298.9197 |
Chemical Identifiers
| CAS Number | 577962-43-7 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C3=C1CCCC3)C4=C(S2)C(=NC=N4)SCC5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
AC1M03U5 (CAS 577962-43-7), with molecular formula C23H22N4O2S2 and molecular weight 450.1184 g/mol. IUPAC: 13-[(4-nitrophenyl)methylsulfanyl]-8-propan-2-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-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.
View MSDS →
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