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3-(3-methylphenyl)-8-(morpholin-4-yl)-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione

3-(3-methylphenyl)-8-(morpholin-4-yl)-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione

Formula: C23H20N2O3

SMILES: CC1=CC=CC(=C1)N1C(=O)C2=CC=C(N3CCOCC3)C3=CC=CC(C1=O)=C23

IUPAC: 3-(3-methylphenyl)-8-(morpholin-4-yl)-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione

InChI: InChI=1S/C23H20N2O3/c1-15-4-2-5-16(14-15)25-22(26)18-7-3-6-17-20(24-10-12-28-13-11-24)9-8-19(21(17)18)23(25)27/h2-9,14H,10-13H2,1H3

Composition: C (74.18%), H (5.41%), N (7.52%), O (12.89%)

Molar Mass: 372.424

Atom Count: 48

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 372.147392512
Formal Charge 0
FSP3 0.22
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey WNVXWOJVNYSKNJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 108.98
Topological Polar Surface Area 49.85
Polarizability 41.84
Ring Count 5
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H20N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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