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10-(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-(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: C26H21ClN2O3

SMILES: ClC1=CC=C(C=C1)C1CC(=O)C2=C(C1)NC1=CC=CC=C1NC2C1=CC=C2OCOC2=C1

IUPAC: 10-(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/C26H21ClN2O3/c27-18-8-5-15(6-9-18)17-11-21-25(22(30)12-17)26(29-20-4-2-1-3-19(20)28-21)16-7-10-23-24(13-16)32-14-31-23/h1-10,13,17,26,28-29H,11-12,14H2

Composition: C (70.19%), H (4.76%), Cl (7.97%), N (6.30%), O (10.79%)

Molar Mass: 444.92

Atom Count: 53

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 444.1240702
Formal Charge 0
FSP3 0.19
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey LBSCKXDYZKHMGB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 126.94
Topological Polar Surface Area 59.59
Polarizability 47.38
Ring Count 6
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H21ClN2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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