AC1MUK8J
[3-(11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-5-yl)phenyl] benzoate
Also Known As: AK-778/11862129|3-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl benzoate|3-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl benzoate
CAS: 488096-86-2
| Molecular Formula | C23H21N3O3S |
|---|---|
| Molecular Weight | 419.13037 g/mol |
| LogP | 3.8093 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.13037 |
| Monoisotopic Mass | 419.13037 |
| Heavy Atoms | 30 |
| Complexity | 1125.9769 |
Chemical Identifiers
| CAS Number | 488096-86-2 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=CC=C4)OC(=O)C5=CC=CC=C5 |
Product Overview
AC1MUK8J (CAS 488096-86-2), with molecular formula C23H21N3O3S and molecular weight 419.13037 g/mol. IUPAC: [3-(11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-5-yl)phenyl] benzoate.
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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