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11-phenyl-15-thia-12,17-diazatetracyclo[8.7.0.0²,?.0¹²,¹?]heptadeca-1(10),2(7),3,5,16-pentaen-13-one

11-phenyl-15-thia-12,17-diazatetracyclo[8.7.0.0²,?.0¹²,¹?]heptadeca-1(10),2(7),3,5,16-pentaen-13-one

Formula: C20H16N2OS

SMILES: O=C1CSC2=NC3=C(CCC4=C3C=CC=C4)C(N12)C1=CC=CC=C1

IUPAC: 11-phenyl-15-thia-12,17-diazatetracyclo[8.7.0.0²,?.0¹²,¹?]heptadeca-1(10),2(7),3,5,16-pentaen-13-one

InChI: InChI=1/C20H16N2OS/c23-17-12-24-20-21-18-15-9-5-4-6-13(15)10-11-16(18)19(22(17)20)14-7-2-1-3-8-14/h1-9,19H,10-12H2

Composition: C (72.26%), H (4.85%), N (8.43%), O (4.81%), S (9.64%)

Molar Mass: 332.42

Atom Count: 40

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 332.098334317
Formal Charge 0
FSP3 0.2
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey MAGIISGXNRAQOZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.76
Topological Polar Surface Area 32.67
Polarizability 37.17
Ring Count 5
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H16N2OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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