4-({4-[3-(tert-butylsulfamoyl)-4-methylphenyl]phthalazin-1-yl}amino)benzamide

4-({4-[3-(tert-butylsulfamoyl)-4-methylphenyl]phthalazin-1-yl}amino)benzamide

Formula: C26H27N5O3S

SMILES: CC1=CC=C(C=C1S(=O)(=O)NC(C)(C)C)C1=C2C=CC=CC2=C(NC2=CC=C(C=C2)C(N)=O)N=N1

IUPAC: 4-({4-[3-(tert-butylsulfamoyl)-4-methylphenyl]phthalazin-1-yl}amino)benzamide

InChI: InChI=1S/C26H27N5O3S/c1-16-9-10-18(15-22(16)35(33,34)31-26(2,3)4)23-20-7-5-6-8-21(20)25(30-29-23)28-19-13-11-17(12-14-19)24(27)32/h5-15,31H,1-4H3,(H2,27,32)(H,28,30)

Composition: C (63.78%), H (5.56%), N (14.30%), O (9.80%), S (6.55%)

Molar Mass: 489.59

Atom Count: 62

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	489.183460923
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	XZNDDHYYSRCZMZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	138.76
Topological Polar Surface Area	127.07
Polarizability	54.97
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H27N5O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00