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10-(3-chloro-4-hydroxy-5-methoxyphenyl)-14-(4-methoxyphenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

10-(3-chloro-4-hydroxy-5-methoxyphenyl)-14-(4-methoxyphenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

Formula: C27H25ClN2O4

SMILES: COC1=CC=C(C=C1)C1CC(=O)C2=C(C1)NC1=CC=CC=C1NC2C1=CC(Cl)=C(O)C(OC)=C1

IUPAC: 10-(3-chloro-4-hydroxy-5-methoxyphenyl)-14-(4-methoxyphenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

InChI: InChI=1/C27H25ClN2O4/c1-33-18-9-7-15(8-10-18)16-12-22-25(23(31)13-16)26(30-21-6-4-3-5-20(21)29-22)17-11-19(28)27(32)24(14-17)34-2/h3-11,14,16,26,29-30,32H,12-13H2,1-2H3

Composition: C (67.99%), H (5.28%), Cl (7.43%), N (5.87%), O (13.42%)

Molar Mass: 476.96

Atom Count: 59

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 476.150285
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey TYVWSHUAUOYNKL-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 136.08
Topological Polar Surface Area 79.82
Polarizability 50.58
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H25ClN2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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