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4-(6-{2-[(3-methylphenyl)methyl]diazen-1-yl}-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-yl)morpholine

4-(6-{2-[(3-methylphenyl)methyl]diazen-1-yl}-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-yl)morpholine

CAS: 541550-19-0

Formula: C23H26N6O2

SMILES: CC1=CC=CC(CN=NC2=NC(OCCC3=CC=CC=N3)=NC(=C2)N2CCOCC2)=C1

IUPAC: 4-(6-{2-[(3-methylphenyl)methyl]diazen-1-yl}-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-yl)morpholine

InChI: InChI=1S/C23H26N6O2/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20/h2-7,9,15-16H,8,10-14,17H2,1H3

Composition: C (66.01%), H (6.26%), N (20.08%), O (7.65%)

Molar Mass: 418.501

Atom Count: 57

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 418.211724101
Formal Charge 0
FSP3 0.35
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 0
InChIKey ZFXOBTRNGZIGSQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 122.08
Topological Polar Surface Area 85.09
Polarizability 44.87
Ring Count 4
Rotatable Bond Count 8

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Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 541550-19-0 $26.75-$120.78$26.75$38.22$52.74$61.92$77.20$120.78
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