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ethyl 5-(2,6-dimethylmorpholin-4-yl)-3-phenyl-1,2,4-triazine-6-carboxylate

ethyl 5-(2,6-dimethylmorpholin-4-yl)-3-phenyl-1,2,4-triazine-6-carboxylate

CAS: 866051-58-3

Formula: C18H22N4O3

SMILES: CCOC(=O)C1=NN=C(N=C1N1CC(C)OC(C)C1)C1=CC=CC=C1

IUPAC: ethyl 5-(2,6-dimethylmorpholin-4-yl)-3-phenyl-1,2,4-triazine-6-carboxylate

InChI: InChI=1/C18H22N4O3/c1-4-24-18(23)15-17(22-10-12(2)25-13(3)11-22)19-16(21-20-15)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3

Composition: C (63.14%), H (6.48%), N (16.36%), O (14.02%)

Molar Mass: 342.399

Atom Count: 47

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 342.169190584
Formal Charge 0
FSP3 0.44
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey LWGOIJSRFMMDQC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 107.05
Topological Polar Surface Area 77.44
Polarizability 36.37
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 866051-58-3 $51.35-$86.31$51.35$63.37$86.31
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