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

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

Formula: C30H32N2O4

SMILES: CCCOC1=CC=C(C=C1)C1NC2=CC=CC=C2NC2=C1C(=O)CC(C2)C1=CC=C(OC)C(OC)=C1

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

InChI: InChI=1/C30H32N2O4/c1-4-15-36-22-12-9-19(10-13-22)30-29-25(31-23-7-5-6-8-24(23)32-30)16-21(17-26(29)33)20-11-14-27(34-2)28(18-20)35-3/h5-14,18,21,30-32H,4,15-17H2,1-3H3

Composition: C (74.36%), H (6.66%), N (5.78%), O (13.21%)

Molar Mass: 484.596

Atom Count: 68

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 484.236207518
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey PVGITMOHCCLYPS-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 145.03
Topological Polar Surface Area 68.82
Polarizability 54.29
Ring Count 5
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C30H32N2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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