2-[4-({4-[3-(tert-butylsulfamoyl)-4-methylphenyl]phthalazin-1-yl}amino)phenoxy]acetamide

2-[4-({4-[3-(tert-butylsulfamoyl)-4-methylphenyl]phthalazin-1-yl}amino)phenoxy]acetamide

Formula: C27H29N5O4S

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

IUPAC: 2-[4-({4-[3-(tert-butylsulfamoyl)-4-methylphenyl]phthalazin-1-yl}amino)phenoxy]acetamide

InChI: InChI=1S/C27H29N5O4S/c1-17-9-10-18(15-23(17)37(34,35)32-27(2,3)4)25-21-7-5-6-8-22(21)26(31-30-25)29-19-11-13-20(14-12-19)36-16-24(28)33/h5-15,32H,16H2,1-4H3,(H2,28,33)(H,29,31)

Composition: C (62.41%), H (5.63%), N (13.48%), O (12.32%), S (6.17%)

Molar Mass: 519.62

Atom Count: 66

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	519.194025608
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
InChIKey	MHAIPQPSBVBXBW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	144.05
Topological Polar Surface Area	136.3
Polarizability	57.7
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H29N5O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00