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17-(5-chloro-2-hydroxyphenyl)-15-methyl-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

17-(5-chloro-2-hydroxyphenyl)-15-methyl-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

Formula: C25H18ClNO3

SMILES: CC12C(C3C4=C(C=CC=C4)C1C1=C3C=CC=C1)C(=O)N(C2=O)C1=CC(Cl)=CC=C1O

IUPAC: 17-(5-chloro-2-hydroxyphenyl)-15-methyl-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

InChI: InChI=1/C25H18ClNO3/c1-25-21-16-8-4-2-6-14(16)20(15-7-3-5-9-17(15)21)22(25)23(29)27(24(25)30)18-12-13(26)10-11-19(18)28/h2-12,20-22,28H,1H3

Composition: C (72.20%), H (4.36%), Cl (8.52%), N (3.37%), O (11.54%)

Molar Mass: 415.87

Atom Count: 48

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 415.0975211
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HICJMHYLYSWGQD-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 113.95
Topological Polar Surface Area 57.61
Polarizability 43.94
Ring Count 6
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H18ClNO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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