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1-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]-3-propanoylthiourea

1-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]-3-propanoylthiourea

Formula: C16H20F3N3OS

SMILES: CCC(=O)NC(=S)NC1=CC(=CC=C1N1CCCCC1)C(F)(F)F

IUPAC: 1-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]-3-propanoylthiourea

InChI: InChI=1S/C16H20F3N3OS/c1-2-14(23)21-15(24)20-12-10-11(16(17,18)19)6-7-13(12)22-8-4-3-5-9-22/h6-7,10H,2-5,8-9H2,1H3,(H2,20,21,23,24)

Composition: C (53.47%), H (5.61%), F (15.86%), N (11.69%), O (4.45%), S (8.92%)

Molar Mass: 359.41

Atom Count: 44

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 359.127917939
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey ANQBBNFKGNJBJE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.33
Topological Polar Surface Area 44.37
Polarizability 34.13
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H20F3N3OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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