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10-(6-chloro-2H-1,3-benzodioxol-5-yl)-14-(4-chlorophenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

10-(6-chloro-2H-1,3-benzodioxol-5-yl)-14-(4-chlorophenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

Formula: C26H20Cl2N2O3

SMILES: ClC1=CC=C(C=C1)C1CC(=O)C2=C(C1)NC1=CC=CC=C1NC2C1=CC2=C(OCO2)C=C1Cl

IUPAC: 10-(6-chloro-2H-1,3-benzodioxol-5-yl)-14-(4-chlorophenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

InChI: InChI=1/C26H20Cl2N2O3/c27-16-7-5-14(6-8-16)15-9-21-25(22(31)10-15)26(30-20-4-2-1-3-19(20)29-21)17-11-23-24(12-18(17)28)33-13-32-23/h1-8,11-12,15,26,29-30H,9-10,13H2

Composition: C (65.15%), H (4.21%), Cl (14.79%), N (5.84%), O (10.01%)

Molar Mass: 479.36

Atom Count: 53

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 478.0850979
Formal Charge 0
FSP3 0.19
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey HIPSWMMSPZNITG-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 131.74
Topological Polar Surface Area 59.59
Polarizability 49.26
Ring Count 6
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H20Cl2N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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