N-(3-bromophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-ylsulfonyl)phenyl]phthalazin-1-amine

N-(3-bromophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-ylsulfonyl)phenyl]phthalazin-1-amine

Formula: C26H26BrN5O2S

SMILES: CN1CCN(CC1)S(=O)(=O)C1=CC(=CC=C1C)C1=C2C=CC=CC2=C(NC2=CC=CC(Br)=C2)N=N1

IUPAC: N-(3-bromophenyl)-4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-amine

InChI: InChI=1S/C26H26BrN5O2S/c1-18-10-11-19(16-24(18)35(33,34)32-14-12-31(2)13-15-32)25-22-8-3-4-9-23(22)26(30-29-25)28-21-7-5-6-20(27)17-21/h3-11,16-17H,12-15H2,1-2H3,(H,28,30)

Composition: C (56.52%), H (4.74%), Br (14.46%), N (12.68%), O (5.79%), S (5.80%)

Molar Mass: 552.49

Atom Count: 61

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	551.099059
Formal Charge	0
FSP3	0.23
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	PBKNGGBYJWZYJD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	144.44
Topological Polar Surface Area	78.43
Polarizability	57.42
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H26BrN5O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00