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4-cyclohexyl-12,12-dimethyl-5-(methylsulfanyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

4-cyclohexyl-12,12-dimethyl-5-(methylsulfanyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

Formula: C18H24N2O2S2

SMILES: CSC1=NC2=C(C3=C(COC(C)(C)C3)S2)C(=O)N1C1CCCCC1

IUPAC: 4-cyclohexyl-12,12-dimethyl-5-(methylsulfanyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

InChI: InChI=1S/C18H24N2O2S2/c1-18(2)9-12-13(10-22-18)24-15-14(12)16(21)20(17(19-15)23-3)11-7-5-4-6-8-11/h11H,4-10H2,1-3H3

Composition: C (59.31%), H (6.64%), N (7.69%), O (8.78%), S (17.59%)

Molar Mass: 364.52

Atom Count: 48

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 364.127920369
Formal Charge 0
FSP3 0.67
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey VJEPXXSDYFSBQU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.2
Topological Polar Surface Area 41.9
Polarizability 38.02
Ring Count 4
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H24N2O2S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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