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11-thia-1-azatetracyclo[10.7.0.0³,?.0¹³,¹?]nonadeca-3,5,7,13(18),14,16-hexaene-9,19-dione

11-thia-1-azatetracyclo[10.7.0.0³,?.0¹³,¹?]nonadeca-3,5,7,13(18),14,16-hexaene-9,19-dione

CAS: 849363-93-5

Formula: C17H13NO2S

SMILES: O=C1N2CC3=CC=CC=C3C(=O)CSC2C2=C1C=CC=C2

IUPAC: 11-thia-1-azatetracyclo[10.7.0.0³,?.0¹³,¹?]nonadeca-3,5,7,13(18),14,16-hexaene-9,19-dione

InChI: InChI=1/C17H13NO2S/c19-15-10-21-17-14-8-4-3-7-13(14)16(20)18(17)9-11-5-1-2-6-12(11)15/h1-8,17H,9-10H2

Composition: C (69.13%), H (4.44%), N (4.74%), O (10.83%), S (10.85%)

Molar Mass: 295.36

Atom Count: 34

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 295.066699837
Formal Charge 0
FSP3 0.18
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey JNKFQKAWVSLQCN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.99
Topological Polar Surface Area 37.38
Polarizability 31.77
Ring Count 4
Rotatable Bond Count 0

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90% <2 Days 849363-93-5 $51.35-$524.40$51.35$63.37$86.31$524.40
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