2-{4-[(E)-{2-[2,6-bis(pyrrolidin-1-yl)pyrimidin-4-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenoxymethyl}benzonitrile

2-{4-[(E)-{2-[2,6-bis(pyrrolidin-1-yl)pyrimidin-4-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenoxymethyl}benzonitrile

Formula: C29H33N7O2

SMILES: CCOC1=CC(C=NNC2=CC(=NC(=N2)N2CCCC2)N2CCCC2)=CC=C1OCC1=CC=CC=C1C#N

IUPAC: 2-({4-[(E)-{2-[2,6-bis(pyrrolidin-1-yl)pyrimidin-4-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenoxy}methyl)benzonitrile

InChI: InChI=1S/C29H33N7O2/c1-2-37-26-17-22(11-12-25(26)38-21-24-10-4-3-9-23(24)19-30)20-31-34-27-18-28(35-13-5-6-14-35)33-29(32-27)36-15-7-8-16-36/h3-4,9-12,17-18,20H,2,5-8,13-16,21H2,1H3,(H,32,33,34)/b31-20+

Composition: C (68.08%), H (6.50%), N (19.16%), O (6.25%)

Molar Mass: 511.63

Atom Count: 71

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	511.269573331
Formal Charge	0
FSP3	0.38
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
InChIKey	IXSHWPUVPCSMHJ-AJBULDERSA-N
Lipinski's Rule of Five
Molar Refractivity	153.57
Topological Polar Surface Area	98.9
Polarizability	55.67
Ring Count	5
Rotatable Bond Count	10

Suppliers

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Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H33N7O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00