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

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

Formula: C27H29N5O4S

SMILES: CCN(CC)S(=O)(=O)C1=CC(=CC=C1C)C1=C2C=CC=CC2=C(NC2=CC=C(OCC(N)=O)C=C2)N=N1

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

InChI: InChI=1S/C27H29N5O4S/c1-4-32(5-2)37(34,35)24-16-19(11-10-18(24)3)26-22-8-6-7-9-23(22)27(31-30-26)29-20-12-14-21(15-13-20)36-17-25(28)33/h6-16H,4-5,17H2,1-3H3,(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	2
InChIKey	RDDZUMZDCDOBFW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	144.64
Topological Polar Surface Area	127.51
Polarizability	57.7
Ring Count	4
Rotatable Bond Count	9

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