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1'-[(2,5-dimethylphenyl)carbamothioyl]-[1,4'-bipiperidine]-4'-carboxamide

1'-[(2,5-dimethylphenyl)carbamothioyl]-[1,4'-bipiperidine]-4'-carboxamide

Formula: C20H30N4OS

SMILES: CC1=CC=C(C)C(NC(=S)N2CCC(CC2)(N2CCCCC2)C(N)=O)=C1

IUPAC: 1'-[(2,5-dimethylphenyl)carbamothioyl]-[1,4'-bipiperidine]-4'-carboxamide

InChI: InChI=1S/C20H30N4OS/c1-15-6-7-16(2)17(14-15)22-19(26)23-12-8-20(9-13-23,18(21)25)24-10-4-3-5-11-24/h6-7,14H,3-5,8-13H2,1-2H3,(H2,21,25)(H,22,26)

Composition: C (64.14%), H (8.07%), N (14.96%), O (4.27%), S (8.56%)

Molar Mass: 374.55

Atom Count: 56

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 374.214032776
Formal Charge 0
FSP3 0.6
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey FUNAHHGNDJAJIU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 113
Topological Polar Surface Area 61.6
Polarizability 42.95
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H30N4OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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