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11-tert-butyl-5-(5-methylfuran-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

11-tert-butyl-5-(5-methylfuran-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C19H24N2O2S

SMILES: CC1=CC=C(O1)C1NC2=C(C3=C(CC(CC3)C(C)(C)C)S2)C(=O)N1

IUPAC: 11-tert-butyl-5-(5-methylfuran-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C19H24N2O2S/c1-10-5-8-13(23-10)16-20-17(22)15-12-7-6-11(19(2,3)4)9-14(12)24-18(15)21-16/h5,8,11,16,21H,6-7,9H2,1-4H3,(H,20,22)

Composition: C (66.25%), H (7.02%), N (8.13%), O (9.29%), S (9.31%)

Molar Mass: 344.47

Atom Count: 48

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 344.155849195
Formal Charge 0
FSP3 0.53
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey UTKJMHAAJYVZNS-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 97.01
Topological Polar Surface Area 54.27
Polarizability 36.15
Ring Count 4
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H24N2O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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