N,N-diethyl-4-({4-[4-methyl-3-(methylsulfamoyl)phenyl]phthalazin-1-yl}amino)benzamide

N,N-diethyl-4-({4-[4-methyl-3-(methylsulfamoyl)phenyl]phthalazin-1-yl}amino)benzamide

Formula: C27H29N5O3S

SMILES: CCN(CC)C(=O)C1=CC=C(NC2=C3C=CC=CC3=C(N=N2)C2=CC=C(C)C(=C2)S(=O)(=O)NC)C=C1

IUPAC: N,N-diethyl-4-({4-[4-methyl-3-(methylsulfamoyl)phenyl]phthalazin-1-yl}amino)benzamide

InChI: InChI=1S/C27H29N5O3S/c1-5-32(6-2)27(33)19-13-15-21(16-14-19)29-26-23-10-8-7-9-22(23)25(30-31-26)20-12-11-18(3)24(17-20)36(34,35)28-4/h7-17,28H,5-6H2,1-4H3,(H,29,31)

Composition: C (64.39%), H (5.80%), N (13.91%), O (9.53%), S (6.37%)

Molar Mass: 503.62

Atom Count: 65

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	503.199110988
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	GDOWDTDQFPGAIB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	144.24
Topological Polar Surface Area	104.29
Polarizability	56.82
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H29N5O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00