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

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

Formula: C24H22N2O2

SMILES: CC1=CC=CC(=C1)N1C(=O)C2=CC=C(N3CCCCC3)C3=CC=CC(C1=O)=C23

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

InChI: InChI=1S/C24H22N2O2/c1-16-7-5-8-17(15-16)26-23(27)19-10-6-9-18-21(25-13-3-2-4-14-25)12-11-20(22(18)19)24(26)28/h5-12,15H,2-4,13-14H2,1H3

Composition: C (77.81%), H (5.99%), N (7.56%), O (8.64%)

Molar Mass: 370.452

Atom Count: 50

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 370.168127956
Formal Charge 0
FSP3 0.25
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey QIDXFBZQDIEOTD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 112.05
Topological Polar Surface Area 40.62
Polarizability 43.02
Ring Count 5
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H22N2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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