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7-cyclohexyl-3-methyl-15-thia-2,4,5,7-tetraazatetracyclo[7.6.0.0²,?.0¹?,¹?]pentadeca-1(9),3,5,10(14)-tetraen-8-one

7-cyclohexyl-3-methyl-15-thia-2,4,5,7-tetraazatetracyclo[7.6.0.0²,?.0¹?,¹?]pentadeca-1(9),3,5,10(14)-tetraen-8-one

Formula: C17H20N4OS

SMILES: CC1=NN=C2N1C1=C(C3=C(CCC3)S1)C(=O)N2C1CCCCC1

IUPAC: 7-cyclohexyl-3-methyl-15-thia-2,4,5,7-tetraazatetracyclo[7.6.0.0²,?.0¹?,¹?]pentadeca-1(9),3,5,10(14)-tetraen-8-one

InChI: InChI=1S/C17H20N4OS/c1-10-18-19-17-20(10)16-14(12-8-5-9-13(12)23-16)15(22)21(17)11-6-3-2-4-7-11/h11H,2-9H2,1H3

Composition: C (62.17%), H (6.14%), N (17.06%), O (4.87%), S (9.76%)

Molar Mass: 328.43

Atom Count: 43

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 328.135782454
Formal Charge 0
FSP3 0.59
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey LSHJVXMDGBZOCB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.83
Topological Polar Surface Area 51.02
Polarizability 33.58
Ring Count 5
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H20N4OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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