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

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

Formula: C27H25ClN2O3

SMILES: COC1=CC=C(OC)C(=C1)C1NC2=CC=CC=C2NC2=C1C(=O)CC(C2)C1=CC=C(Cl)C=C1

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

InChI: InChI=1/C27H25ClN2O3/c1-32-19-11-12-25(33-2)20(15-19)27-26-23(29-21-5-3-4-6-22(21)30-27)13-17(14-24(26)31)16-7-9-18(28)10-8-16/h3-12,15,17,27,29-30H,13-14H2,1-2H3

Composition: C (70.35%), H (5.47%), Cl (7.69%), N (6.08%), O (10.41%)

Molar Mass: 460.96

Atom Count: 58

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 460.1553704
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey HHNXCEHQFRCPMZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 134.1
Topological Polar Surface Area 59.59
Polarizability 49.95
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H25ClN2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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