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4-(4-bromophenyl)-8-(2-methylbutan-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one

4-(4-bromophenyl)-8-(2-methylbutan-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one

Formula: C19H26BrNOS

SMILES: CCC(C)(C)C1CCC2(CC1)SCC(=O)N2C1=CC=C(Br)C=C1

IUPAC: 4-(4-bromophenyl)-8-(2-methylbutan-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one

InChI: InChI=1S/C19H26BrNOS/c1-4-18(2,3)14-9-11-19(12-10-14)21(17(22)13-23-19)16-7-5-15(20)6-8-16/h5-8,14H,4,9-13H2,1-3H3

Composition: C (57.57%), H (6.61%), Br (20.16%), N (3.53%), O (4.04%), S (8.09%)

Molar Mass: 396.39

Atom Count: 49

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 395.091849
Formal Charge 0
FSP3 0.63
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey AOAJUEVLIIVAFV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 101.5
Topological Polar Surface Area 20.31
Polarizability 39.77
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H26BrNOS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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