AC1NJSJQ
2-[(7-anilino-8-cyano-11,11-dimethyl-12-oxa-3,4,6-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)sulfanyl]-N,N-dibutylacetamide
Also Known As: N,N-dibutyl-2-((6-cyano-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)acetamide|N,N-dibutyl-2-{[6-cyano-8,8-dimethyl-5-(phenylamino)-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}acetamide
CAS: 900271-91-2
| Molecular Formula | C28H36N6O2S |
|---|---|
| Molecular Weight | 520.262 g/mol |
| LogP | 5.71678 |
| Topological Polar Surface Area | 95.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 520.262 |
| Monoisotopic Mass | 520.262 |
| Heavy Atoms | 37 |
| Complexity | 1273.5498 |
Chemical Identifiers
| CAS Number | 900271-91-2 |
|---|---|
| SMILES | CCCCN(CCCC)C(=O)CSC1=NN=C2N1C(=C(C3=C2COC(C3)(C)C)C#N)NC4=CC=CC=C4 |
Product Overview
AC1NJSJQ (CAS 900271-91-2), with molecular formula C28H36N6O2S and molecular weight 520.262 g/mol. IUPAC: 2-[(7-anilino-8-cyano-11,11-dimethyl-12-oxa-3,4,6-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)sulfanyl]-N,N-dibutylacetamide.
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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