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

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

Formula: C21H12N2O2S

SMILES: O=C1N(C2=NC=C(S2)C2=CC=CC=C2)C(=O)C2=C3C(C=CC=C13)=CC=C2

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

InChI: InChI=1S/C21H12N2O2S/c24-19-15-10-4-8-14-9-5-11-16(18(14)15)20(25)23(19)21-22-12-17(26-21)13-6-2-1-3-7-13/h1-12H

Composition: C (70.77%), H (3.39%), N (7.86%), O (8.98%), S (9.00%)

Molar Mass: 356.4

Atom Count: 38

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 356.061948808
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey DADRVFRWHOJHHH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.04
Topological Polar Surface Area 50.27
Polarizability 40.38
Ring Count 5
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H12N2O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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