AC1NJVC0
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-diethylacetamide
Also Known As: 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)-N,N-diethylacetamide|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}-N,N-diethylacetamide
| Molecular Formula | C24H28N6O2S |
|---|---|
| Molecular Weight | 464.19943 g/mol |
| LogP | 4.15638 |
| Topological Polar Surface Area | 95.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.19943 |
| Monoisotopic Mass | 464.19943 |
| Heavy Atoms | 33 |
| Complexity | 1211.4028 |
Chemical Identifiers
| CAS Number | 900893-63-2 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NN=C2N1C(=C(C3=C2COC(C3)(C)C)C#N)NC4=CC=CC=C4 |
Product Overview
AC1NJVC0 (CAS 900893-63-2), with molecular formula C24H28N6O2S and molecular weight 464.19943 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-diethylacetamide.
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