AC1NKVXC
4-[(2,3-dimethylphenoxy)methyl]-14,14-dimethyl-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: 2-((2,3-dimethylphenoxy)methyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine|2-[(2,3-dimethylphenoxy)methyl]-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
CAS: 879778-75-3
| Molecular Formula | C21H22N4O2S |
|---|---|
| Molecular Weight | 394.14636 g/mol |
| LogP | 4.38614 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.14636 |
| Monoisotopic Mass | 394.14636 |
| Heavy Atoms | 28 |
| Complexity | 1208.2827 |
Chemical Identifiers
| CAS Number | 879778-75-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)OCC2=NN3C=NC4=C(C3=N2)C5=C(S4)COC(C5)(C)C)C |
Product Overview
AC1NKVXC (CAS 879778-75-3), with molecular formula C21H22N4O2S and molecular weight 394.14636 g/mol. IUPAC: 4-[(2,3-dimethylphenoxy)methyl]-14,14-dimethyl-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
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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