N-methyl-4-({4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)benzamide

N-methyl-4-({4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)benzamide

Formula: C28H29N5O3S

SMILES: CNC(=O)C1=CC=C(NC2=C3C=CC=CC3=C(N=N2)C2=CC=C(C)C(=C2)S(=O)(=O)N2CCCCC2)C=C1

IUPAC: N-methyl-4-({4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)benzamide

InChI: InChI=1S/C28H29N5O3S/c1-19-10-11-21(18-25(19)37(35,36)33-16-6-3-7-17-33)26-23-8-4-5-9-24(23)27(32-31-26)30-22-14-12-20(13-15-22)28(34)29-2/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H,29,34)(H,30,32)

Composition: C (65.22%), H (5.67%), N (13.58%), O (9.31%), S (6.22%)

Molar Mass: 515.63

Atom Count: 66

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	515.199110988
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	OBTBACHTCLUWJX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	146.89
Topological Polar Surface Area	104.29
Polarizability	57.93
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H29N5O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00