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

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

Formula: C19H16BrN3O5

SMILES: BrC1=CC=C(C=C1)N1C(=O)NC(=O)C(=C/C2=CC=C(O2)N2CCOCC2)C1=O

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

InChI: InChI=1S/C19H16BrN3O5/c20-12-1-3-13(4-2-12)23-18(25)15(17(24)21-19(23)26)11-14-5-6-16(28-14)22-7-9-27-10-8-22/h1-6,11H,7-10H2,(H,21,24,26)/b15-11+

Composition: C (51.14%), H (3.61%), Br (17.91%), N (9.42%), O (17.93%)

Molar Mass: 446.257

Atom Count: 44

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 445.027334
Formal Charge 0
FSP3 0.21
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey APLCMUPKPPLGMV-RVDMUPIBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 103.57
Topological Polar Surface Area 92.09
Polarizability 38.96
Ring Count 4
Rotatable Bond Count 3

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H16BrN3O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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