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10-(4-ethoxy-3-methoxyphenyl)-14-(4-methoxyphenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

10-(4-ethoxy-3-methoxyphenyl)-14-(4-methoxyphenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

Formula: C29H30N2O4

SMILES: CCOC1=CC=C(C=C1OC)C1NC2=CC=CC=C2NC2=C1C(=O)CC(C2)C1=CC=C(OC)C=C1

IUPAC: 10-(4-ethoxy-3-methoxyphenyl)-14-(4-methoxyphenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

InChI: InChI=1/C29H30N2O4/c1-4-35-26-14-11-19(17-27(26)34-3)29-28-24(30-22-7-5-6-8-23(22)31-29)15-20(16-25(28)32)18-9-12-21(33-2)13-10-18/h5-14,17,20,29-31H,4,15-16H2,1-3H3

Composition: C (74.02%), H (6.43%), N (5.95%), O (13.60%)

Molar Mass: 470.569

Atom Count: 65

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 470.220557454
Formal Charge 0
FSP3 0.28
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey VPIVXYCDUKJDGZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 140.51
Topological Polar Surface Area 68.82
Polarizability 52.45
Ring Count 5
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C29H30N2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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