AC1LW1AA
2-[[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methylsulfanyl]-N,N-dimethylethanamine
Also Known As: Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl-|AE-641/30154011|2-[[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methylsulfanyl]-N,N-dimethylethanamine|2-({[8-Chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl}sulfanyl)-N,N-dimethylethan-1-amine|N-[2-({[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl}sulfanyl)ethyl]-N,N-dimethylamine
| Molecular Formula | C21H21Cl2N5S |
|---|---|
| Molecular Weight | 445.08948 g/mol |
| LogP | 4.7199 |
| Topological Polar Surface Area | 46.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.08948 |
| Monoisotopic Mass | 445.08948 |
| Heavy Atoms | 29 |
| Complexity | 1060.9751 |
Chemical Identifiers
| CAS Number | 85677-83-4 |
|---|---|
| SMILES | CN(C)CCSCC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl |
Product Overview
AC1LW1AA (CAS 85677-83-4), with molecular formula C21H21Cl2N5S and molecular weight 445.08948 g/mol. IUPAC: 2-[[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methylsulfanyl]-N,N-dimethylethanamine.
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