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1-(3-{[7-chloro-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}propyl)pyrrolidin-2-one

1-(3-{[7-chloro-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}propyl)pyrrolidin-2-one

Formula: C22H20ClFN6O

SMILES: FC1=CC(=CC=C1)C1=C2N=C(NCCCN3CCCC3=O)C3=CC(Cl)=CC=C3N2N=N1

IUPAC: 1-(3-{[7-chloro-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amino}propyl)pyrrolidin-2-one

InChI: InChI=1S/C22H20ClFN6O/c23-15-7-8-18-17(13-15)21(25-9-3-11-29-10-2-6-19(29)31)26-22-20(27-28-30(18)22)14-4-1-5-16(24)12-14/h1,4-5,7-8,12-13H,2-3,6,9-11H2,(H,25,26)

Composition: C (60.21%), H (4.59%), Cl (8.08%), F (4.33%), N (19.15%), O (3.65%)

Molar Mass: 438.89

Atom Count: 51

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 438.1371152
Formal Charge 0
FSP3 0.27
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey JTAGVBWUWZLZNZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 128.8
Topological Polar Surface Area 75.42
Polarizability 46
Ring Count 5
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H20ClFN6O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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