Compound C21H25FN6O3S

4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride

CAS: 17720-23-9

Molecular Formula	`C21H25FN6O3S`
Molecular Weight	460.5 g/mol
LogP	1.6
Topological Polar Surface Area	152.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	460.16928
Heavy Atoms	32
Complexity	861.0

Chemical Identifiers

CAS Number	17720-23-9
SMILES	`CC1=C(C=CC(=C1)NC(=O)CCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N)S(=O)(=O)F`
InChIKey	`WOKPARJRGNUMDA-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H25FN6O3S (CAS: 17720-23-9) is a chemical compound with molecular formula C21H25FN6O3S and molecular weight 460.5 g/mol. Its IUPAC systematic name is 4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride. LogP 1.6 Topological Polar Surface Area 152.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 460.16928 Heavy Atoms 32 Complexity 861.0 InChI Key: WOKPARJRGNUMDA-UHFFFAOYSA-N. SMILES: CC1=C(C=CC(=C1)NC(=O)CCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N)S(=O)(=O)F.

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