AC1LUR5I
pentyl 2-[(8-propyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)sulfanyl]acetate
Also Known As: pentyl [(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]acetate|pentyl 2-((5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)acetate
CAS: 369403-55-4
| Molecular Formula | C23H29N3O2S2 |
|---|---|
| Molecular Weight | 443.1701 g/mol |
| LogP | 5.8963 |
| Topological Polar Surface Area | 64.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 443.1701 |
| Monoisotopic Mass | 443.1701 |
| Heavy Atoms | 30 |
| Complexity | 1048.0219 |
Chemical Identifiers
| CAS Number | 369403-55-4 |
|---|---|
| SMILES | CCCCCOC(=O)CSC1=NC=NC2=C1SC3=C2C4=C(CCCC4)C(=N3)CCC |
Product Overview
AC1LUR5I (CAS 369403-55-4), with molecular formula C23H29N3O2S2 and molecular weight 443.1701 g/mol. IUPAC: pentyl 2-[(8-propyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)sulfanyl]acetate.
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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