N-{1-[N''-cyano-N'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide

N-{1-[N''-cyano-N'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide

CAS: 861393-28-4

Formula: C26H30N6O3

SMILES: COC1=CC=C(CC(=O)NC(NC(NC2=C3C=CC=NC3=CC=C2)=NC#N)C(C)(C)C)C=C1OC

IUPAC: N-{1-[N''-cyano-N'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide

InChI: InChI=1/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)

Composition: C (65.80%), H (6.37%), N (17.71%), O (10.11%)

Molar Mass: 474.565

Atom Count: 65

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	474.23793885
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
InChIKey	PUHSRMSFDASMAE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	134.25
Topological Polar Surface Area	120.66
Polarizability	52.19
Ring Count	3
Rotatable Bond Count	8

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	861393-28-4		$34.40-$136.06$34.40$40.51$55.04$87.14$136.06