AC1MGRHX
2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)sulfanyl]acetic acid
Also Known As: 2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)acetic acid|{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetic acid
CAS: 797799-45-2
| Molecular Formula | C19H20N4O3S2 |
|---|---|
| Molecular Weight | 416.0977 g/mol |
| LogP | 3.1316 |
| Topological Polar Surface Area | 88.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.0977 |
| Monoisotopic Mass | 416.0977 |
| Heavy Atoms | 28 |
| Complexity | 1062.4352 |
Chemical Identifiers
| CAS Number | 797799-45-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N=C2N4CCOCC4)SC5=C3N=CN=C5SCC(=O)O |
Product Overview
AC1MGRHX (CAS 797799-45-2), with molecular formula C19H20N4O3S2 and molecular weight 416.0977 g/mol. IUPAC: 2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)sulfanyl]acetic acid.
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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