bevenopran

bevenopran

CAS: 676500-67-7

Formula: C20H26N4O4

SMILES: COC1=CC(CNCCC2CCOCC2)=CC=C1OC1=CN=C(C=N1)C(N)=O

IUPAC: 5-[2-methoxy-4-({[2-(oxan-4-yl)ethyl]amino}methyl)phenoxy]pyrazine-2-carboxamide

InChI: InChI=1S/C20H26N4O4/c1-26-18-10-15(11-22-7-4-14-5-8-27-9-6-14)2-3-17(18)28-19-13-23-16(12-24-19)20(21)25/h2-3,10,12-14,22H,4-9,11H2,1H3,(H2,21,25)

Composition: C (62.16%), H (6.78%), N (14.50%), O (16.56%)

Molar Mass: 386.452

Atom Count: 54

Heavy Atom Count: 28

Properties

Properties

Common Names	bevenopran
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	386.195405333
Formal Charge	0
FSP3	0.45
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	ZGCYVRNZWGUXNQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.69
Topological Polar Surface Area	108.59
Polarizability	40.47
Ring Count	3
Rotatable Bond Count	9

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.82%	<7 Days	676500-67-7		$196.35-$2,244.00$196.35$439.45$701.25$1,402.50$2,244.00