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(5E)-1-(4-ethylphenyl)-5-{[5-(morpholin-4-yl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

(5E)-1-(4-ethylphenyl)-5-{[5-(morpholin-4-yl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

Formula: C21H21N3O5

SMILES: CCC1=CC=C(C=C1)N1C(=O)NC(=O)C(=C/C2=CC=C(O2)N2CCOCC2)C1=O

IUPAC: (5E)-1-(4-ethylphenyl)-5-{[5-(morpholin-4-yl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

InChI: InChI=1S/C21H21N3O5/c1-2-14-3-5-15(6-4-14)24-20(26)17(19(25)22-21(24)27)13-16-7-8-18(29-16)23-9-11-28-12-10-23/h3-8,13H,2,9-12H2,1H3,(H,22,25,27)/b17-13+

Composition: C (63.79%), H (5.35%), N (10.63%), O (20.23%)

Molar Mass: 395.415

Atom Count: 50

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 395.148120788
Formal Charge 0
FSP3 0.29
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey MNMNRHPKKIRIRA-GHRIWEEISA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.58
Topological Polar Surface Area 92.09
Polarizability 39.63
Ring Count 4
Rotatable Bond Count 4

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H21N3O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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