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14-(3,4-dimethoxyphenyl)-10-(5-methylthiophen-2-yl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

14-(3,4-dimethoxyphenyl)-10-(5-methylthiophen-2-yl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

Formula: C26H26N2O3S

SMILES: COC1=CC=C(C=C1OC)C1CC(=O)C2=C(C1)NC1=CC=CC=C1NC2C1=CC=C(C)S1

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

InChI: InChI=1/C26H26N2O3S/c1-15-8-11-24(32-15)26-25-20(27-18-6-4-5-7-19(18)28-26)12-17(13-21(25)29)16-9-10-22(30-2)23(14-16)31-3/h4-11,14,17,26-28H,12-13H2,1-3H3

Composition: C (69.93%), H (5.87%), N (6.27%), O (10.75%), S (7.18%)

Molar Mass: 446.57

Atom Count: 58

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 446.166413879
Formal Charge 0
FSP3 0.27
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey SQPJLGCMLIETMA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 131.24
Topological Polar Surface Area 59.59
Polarizability 48.5
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H26N2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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