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

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

Formula: C27H27N5O2

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

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

InChI: InChI=1S/C27H27N5O2/c1-4-32(5-2)27(34)20-12-10-18(11-13-20)24-22-8-6-7-9-23(22)25(31-30-24)29-21-16-14-19(15-17-21)26(33)28-3/h6-17H,4-5H2,1-3H3,(H,28,33)(H,29,31)

Composition: C (71.50%), H (6.00%), N (15.44%), O (7.06%)

Molar Mass: 453.546

Atom Count: 61

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	453.216475129
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	GTJHYSSQPIRAOL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	136.12
Topological Polar Surface Area	87.22
Polarizability	52.64
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H27N5O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00