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

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

Formula: C31H30Cl2N2O2

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

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

InChI: InChI=1/C31H30Cl2N2O2/c1-2-3-4-12-29(37)35-27-11-6-5-10-25(27)34-26-18-22(20-13-15-23(32)16-14-20)19-28(36)30(26)31(35)21-8-7-9-24(33)17-21/h5-11,13-17,22,31,34H,2-4,12,18-19H2,1H3

Composition: C (69.79%), H (5.67%), Cl (13.29%), N (5.25%), O (6.00%)

Molar Mass: 533.49

Atom Count: 67

Heavy Atom Count: 37

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 532.1684336
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ZLJYWRMUEMCBRW-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 152.19
Topological Polar Surface Area 49.41
Polarizability 57.88
Ring Count 5
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C31H30Cl2N2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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