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

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

Formula: C27H24N2O3

SMILES: COC1=CC=C(C=C1)C1NC2=CC=C(C=C2NC2=C1C(=O)CCC2)C(=O)C1=CC=CC=C1

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

InChI: InChI=1/C27H24N2O3/c1-32-20-13-10-17(11-14-20)26-25-22(8-5-9-24(25)30)28-23-16-19(12-15-21(23)29-26)27(31)18-6-3-2-4-7-18/h2-4,6-7,10-16,26,28-29H,5,8-9H2,1H3

Composition: C (76.40%), H (5.70%), N (6.60%), O (11.31%)

Molar Mass: 424.5

Atom Count: 56

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 424.178692641
Formal Charge 0
FSP3 0.19
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey CGWGUVHLGXHQFH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 128.76
Topological Polar Surface Area 67.43
Polarizability 47.63
Ring Count 5
Rotatable Bond Count 4

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H24N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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