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

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

Formula: C17H19N3O2S

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

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

InChI: InChI=1/C17H19N3O2S/c1-2-20-7-6-12-13(9-20)23-17-14(12)16(22)18-15(19-17)10-4-3-5-11(21)8-10/h3-5,8,15,19,21H,2,6-7,9H2,1H3,(H,18,22)

Composition: C (61.98%), H (5.81%), N (12.76%), O (9.71%), S (9.73%)

Molar Mass: 329.42

Atom Count: 42

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 329.119798038
Formal Charge 0
FSP3 0.35
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey ZHHPVNADWQYAJK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.24
Topological Polar Surface Area 64.6
Polarizability 34.2
Ring Count 4
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H19N3O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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