2-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamoyl)benzoic acid

2-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamoyl)benzoic acid

Formula: C20H18N4O7S

SMILES: COC1=NC(OC)=NC(NS(=O)(=O)C2=CC=C(NC(=O)C3=CC=CC=C3C(O)=O)C=C2)=C1

IUPAC: 2-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamoyl)benzoic acid

InChI: InChI=1S/C20H18N4O7S/c1-30-17-11-16(22-20(23-17)31-2)24-32(28,29)13-9-7-12(8-10-13)21-18(25)14-5-3-4-6-15(14)19(26)27/h3-11H,1-2H3,(H,21,25)(H,26,27)(H,22,23,24)

Composition: C (52.40%), H (3.96%), N (12.22%), O (24.43%), S (6.99%)

Molar Mass: 458.45

Atom Count: 50

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	458.08962011
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
InChIKey	ITCAVNZNLXXTPZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.84
Topological Polar Surface Area	156.81
Polarizability	43.55
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H18N4O7S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00