AC1L8JBW structure

AC1L8JBW

3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]-4-methylbenzenesulfonyl fluoride;sulfuric acid

Also Known As: 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]-4-methylbenzenesulfonyl fluoride; sulfuric acid|3-[[4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]-4-methylbenzenesulfonyl fluoride;sulfuric acid|Sulfuric acid--3-{[(4-{[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)methyl]carbamoyl}-4-methylbenzene-1-sulfonyl fluoride (1/1)

CAS: 20105-66-2
Molecular Formula C26H24Cl2FN5O8S2
Molecular Weight 687.0427 g/mol
LogP 4.43762
Topological Polar Surface Area 242.0 Ų
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 13
Rotatable Bonds 8
Exact Mass 687.0427
Monoisotopic Mass 687.0427
Heavy Atoms 44
Complexity 1000.0

Chemical Identifiers

CAS Number 20105-66-2
SMILES CC1=C(C=C(C=C1)S(=O)(=O)F)C(=O)NCC2=CC=C(C=C2)OCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl.OS(=O)(=O)O
InChIKey NNTMZHVFDNDSIR-UHFFFAOYSA-N

Product Overview

AC1L8JBW (CAS 20105-66-2), with molecular formula C26H24Cl2FN5O8S2 and molecular weight 687.0427 g/mol. IUPAC: 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]-4-methylbenzenesulfonyl fluoride;sulfuric acid.

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