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14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0²,?.0?,¹?.0¹²,¹?]nonadeca-1(18),8,12,14,16-pentaen-11-one

14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0²,?.0?,¹?.0¹²,¹?]nonadeca-1(18),8,12,14,16-pentaen-11-one

CAS: 1446261-44-4

Formula: C16H15FN4O

SMILES: CC12CCCN1CC1=NNC(=O)C3=CC(F)=CC4=C3C1=C2N4

IUPAC: 14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0²,?.0?,¹?.0¹²,¹?]nonadeca-1(18),8,12,14,16-pentaen-11-one

InChI: InChI=1/C16H15FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6,18H,2-4,7H2,1H3,(H,20,22)

Composition: C (64.42%), H (5.07%), F (6.37%), N (18.78%), O (5.36%)

Molar Mass: 298.321

Atom Count: 37

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 298.122989282
Formal Charge 0
FSP3 0.37
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey DENYZIUJOTUUNY-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.01
Topological Polar Surface Area 60.49
Polarizability 30.97
Ring Count 5
Rotatable Bond Count 0

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Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 1446261-44-4 Quote Only
Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 1446261-44-4 $41.28-$467.81$41.28$58.86$96.31$158.23$282.06$467.81
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