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11-(4-fluorophenyl)-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0²,?.0¹³,¹?]heptadeca-2(7),3,5,13-tetraene-9,15-dione

11-(4-fluorophenyl)-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0²,?.0¹³,¹?]heptadeca-2(7),3,5,13-tetraene-9,15-dione

CAS: 1260654-05-4

Formula: C19H12FNO3S2

SMILES: FC1=CC=C(C=C1)C1SC2=NC(=O)SC2C2C1C(=O)OC1=C2C=CC=C1

IUPAC: 11-(4-fluorophenyl)-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0²,?.0¹³,¹?]heptadeca-2(7),3,5,13-tetraene-9,15-dione

InChI: InChI=1/C19H12FNO3S2/c20-10-7-5-9(6-8-10)15-14-13(16-17(25-15)21-19(23)26-16)11-3-1-2-4-12(11)24-18(14)22/h1-8,13-16H

Composition: C (59.21%), H (3.14%), F (4.93%), N (3.63%), O (12.45%), S (16.64%)

Molar Mass: 385.43

Atom Count: 38

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 4
Exact Mass 385.024263761
Formal Charge 0
FSP3 0.21
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey VMKFSDIVRITROY-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.66
Topological Polar Surface Area 55.73
Polarizability 38.07
Ring Count 5
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1260654-05-4 $1,460.00-$2,310.00$1,460.00$1,700.00$2,310.00
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