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11-ethyl-5-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

11-ethyl-5-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C17H19N3OS

SMILES: CCN1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=CC=C1

IUPAC: 11-ethyl-5-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C17H19N3OS/c1-2-20-9-8-12-13(10-20)22-17-14(12)16(21)18-15(19-17)11-6-4-3-5-7-11/h3-7,15,19H,2,8-10H2,1H3,(H,18,21)

Composition: C (65.15%), H (6.11%), N (13.41%), O (5.10%), S (10.23%)

Molar Mass: 313.42

Atom Count: 41

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 313.124883418
Formal Charge 0
FSP3 0.35
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey FJRPBKJDGNWZPX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.26
Topological Polar Surface Area 44.37
Polarizability 33.58
Ring Count 4
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H19N3OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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