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10-(2,5-dimethoxyphenyl)-9-thia-2-azatetracyclo[9.7.0.0³,?.0¹³,¹?]octadeca-1(11),3,5,7,13(18),14,16-heptaen-12-one

10-(2,5-dimethoxyphenyl)-9-thia-2-azatetracyclo[9.7.0.0³,?.0¹³,¹?]octadeca-1(11),3,5,7,13(18),14,16-heptaen-12-one

Formula: C24H19NO3S

SMILES: COC1=CC=C(OC)C(=C1)C1SC2=CC=CC=C2NC2=C1C(=O)C1=C2C=CC=C1

IUPAC: 10-(2,5-dimethoxyphenyl)-9-thia-2-azatetracyclo[9.7.0.0³,?.0¹³,¹?]octadeca-1(11),3,5,7,13(18),14,16-heptaen-12-one

InChI: InChI=1/C24H19NO3S/c1-27-14-11-12-19(28-2)17(13-14)24-21-22(15-7-3-4-8-16(15)23(21)26)25-18-9-5-6-10-20(18)29-24/h3-13,24-25H,1-2H3

Composition: C (71.80%), H (4.77%), N (3.49%), O (11.96%), S (7.99%)

Molar Mass: 401.48

Atom Count: 48

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 401.10856465
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey XCUUYYPTQOBOMQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 118.64
Topological Polar Surface Area 47.56
Polarizability 44.45
Ring Count 5
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H19NO3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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