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

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

Formula: C33H35N3O6

SMILES: CCCCCC(=O)N1C(C2=CC=C(OC)C(OC)=C2)C2=C(CC(CC2=O)C2=CC=CC(=C2)[N+]([O-])=O)NC2=CC=CC=C12

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

InChI: InChI=1/C33H35N3O6/c1-4-5-6-14-31(38)35-27-13-8-7-12-25(27)34-26-18-23(21-10-9-11-24(17-21)36(39)40)19-28(37)32(26)33(35)22-15-16-29(41-2)30(20-22)42-3/h7-13,15-17,20,23,33-34H,4-6,14,18-19H2,1-3H3

Composition: C (69.58%), H (6.19%), N (7.38%), O (16.85%)

Molar Mass: 569.658

Atom Count: 77

Heavy Atom Count: 42

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 569.252585859
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey WDTNHCDLAXJEON-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 161.83
Topological Polar Surface Area 111.01
Polarizability 61.06
Ring Count 5
Rotatable Bond Count 9

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C33H35N3O6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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