AC1LUAL3
2-[[6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetonitrile
Also Known As: Oprea1_180412|Oprea1_440463|AN-648/15240040|2-[[6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetonitrile|[(6-{[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetonitrile|2-((6-((4,6-dimorpholino-1,3,5-triazin-2-yl)amino)benzo[d]thiazol-2-yl)thio)acetonitrile|2-{6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzothiazol-2-ylthio}eth anenitrile|[(6-{[(2Z)-4,6-di(morpholin-4-yl)-1,3,5-triazin-2(1H)-ylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetonitrile
| Molecular Formula | C20H22N8O2S2 |
|---|---|
| Molecular Weight | 470.1307 g/mol |
| LogP | 2.51378 |
| Topological Polar Surface Area | 112.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.1307 |
| Monoisotopic Mass | 470.1307 |
| Heavy Atoms | 32 |
| Complexity | 1086.2255 |
Chemical Identifiers
| CAS Number | 333741-75-6 |
|---|---|
| SMILES | C1COCCN1C2=NC(=NC(=N2)NC3=CC4=C(C=C3)N=C(S4)SCC#N)N5CCOCC5 |
Product Overview
AC1LUAL3 (CAS 333741-75-6), with molecular formula C20H22N8O2S2 and molecular weight 470.1307 g/mol. IUPAC: 2-[[6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetonitrile.
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