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5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),4-trien-3-one

5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),4-trien-3-one

Formula: C19H16N4O2S2

SMILES: O=C1N=C(NC2=C1C1=C(CCCC1)S2)SCC1=NN=C(O1)C1=CC=CC=C1

IUPAC: 5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),4-trien-3-one

InChI: InChI=1S/C19H16N4O2S2/c24-16-15-12-8-4-5-9-13(12)27-18(15)21-19(20-16)26-10-14-22-23-17(25-14)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,20,21,24)

Composition: C (57.56%), H (4.07%), N (14.13%), O (8.07%), S (16.17%)

Molar Mass: 396.48

Atom Count: 43

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 396.071468119
Formal Charge 0
FSP3 0.26
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey DKKAEBOVGQQPBJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 118.68
Topological Polar Surface Area 80.38
Polarizability 40.27
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H16N4O2S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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