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

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

Formula: C32H33ClN2O3

SMILES: CCCCCC(=O)N1C(C2=CC=C(Cl)C=C2)C2=C(CC(CC2=O)C2=CC=C(OC)C=C2)NC2=CC=CC=C12

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

InChI: InChI=1/C32H33ClN2O3/c1-3-4-5-10-30(37)35-28-9-7-6-8-26(28)34-27-19-23(21-13-17-25(38-2)18-14-21)20-29(36)31(27)32(35)22-11-15-24(33)16-12-22/h6-9,11-18,23,32,34H,3-5,10,19-20H2,1-2H3

Composition: C (72.65%), H (6.29%), Cl (6.70%), N (5.29%), O (9.07%)

Molar Mass: 529.08

Atom Count: 71

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 528.2179706
Formal Charge 0
FSP3 0.31
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey KOKWOGQXNLESJI-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 153.85
Topological Polar Surface Area 58.64
Polarizability 58.54
Ring Count 5
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C32H33ClN2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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