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5-{[4-(benzyloxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione

5-{[4-(benzyloxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione

CAS: 242473-63-8

Formula: C18H14N2O4

SMILES: O=C1NC(=O)C(=CC2=CC=C(OCC3=CC=CC=C3)C=C2)C(=O)N1

IUPAC: 5-{[4-(benzyloxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione

InChI: InChI=1S/C18H14N2O4/c21-16-15(17(22)20-18(23)19-16)10-12-6-8-14(9-7-12)24-11-13-4-2-1-3-5-13/h1-10H,11H2,(H2,19,20,21,22,23)

Composition: C (67.08%), H (4.38%), N (8.69%), O (19.85%)

Molar Mass: 322.32

Atom Count: 38

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 322.095356939
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey RPNLKHSBSLHOSQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.2
Topological Polar Surface Area 84.5
Polarizability 33.17
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 242473-63-8 $51.35-$524.40$51.35$63.37$86.31$524.40
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