DTXSID1064407

3-[[2-acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonic acid

CAS: 6539-67-9

Molecular Formula	`C21H17ClN8O7S2`
Molecular Weight	593.0 g/mol
LogP	2.2
Topological Polar Surface Area	256.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	14
Rotatable Bonds	7
Exact Mass	592.03503
Heavy Atoms	39
Complexity	1120.0

Chemical Identifiers

CAS Number	6539-67-9
SMILES	`CC(=O)NC1=C(C=CC(=C1)NC2=NC(=NC(=N2)N)Cl)N=NC3=CC4=C(C=CC=C4S(=O)(=O)O)C(=C3)S(=O)(=O)O`
InChIKey	`ASDREVVGQFYRTH-UHFFFAOYSA-N`

📖 Product Overview

DTXSID1064407 (CAS: 6539-67-9) is a chemical compound with molecular formula C21H17ClN8O7S2 and molecular weight 593.0 g/mol. Its IUPAC systematic name is 3-[[2-acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonic acid. LogP 2.2 Topological Polar Surface Area 256.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 14 Rotatable Bonds 7 Exact Mass 592.03503 Heavy Atoms 39 Complexity 1120.0 InChI Key: ASDREVVGQFYRTH-UHFFFAOYSA-N. SMILES: CC(=O)NC1=C(C=CC(=C1)NC2=NC(=NC(=N2)N)Cl)N=NC3=CC4=C(C=CC=C4S(=O)(=O)O)C(=C3)S(=O)(=O)O.

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