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N-(3-acetylphenyl)-4-benzylpiperidine-1-carbothioamide

N-(3-acetylphenyl)-4-benzylpiperidine-1-carbothioamide

Formula: C21H24N2OS

SMILES: CC(=O)C1=CC(NC(=S)N2CCC(CC3=CC=CC=C3)CC2)=CC=C1

IUPAC: N-(3-acetylphenyl)-4-benzylpiperidine-1-carbothioamide

InChI: InChI=1S/C21H24N2OS/c1-16(24)19-8-5-9-20(15-19)22-21(25)23-12-10-18(11-13-23)14-17-6-3-2-4-7-17/h2-9,15,18H,10-14H2,1H3,(H,22,25)

Composition: C (71.56%), H (6.86%), N (7.95%), O (4.54%), S (9.10%)

Molar Mass: 352.5

Atom Count: 49

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 352.160934575
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey CLNANKAWRUPPBU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 109.17
Topological Polar Surface Area 32.34
Polarizability 41.49
Ring Count 3
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H24N2OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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