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N-(4-bromo-3-methylphenyl)-2-{[(phenylcarbamoyl)methyl]sulfanyl}acetamide

N-(4-bromo-3-methylphenyl)-2-{[(phenylcarbamoyl)methyl]sulfanyl}acetamide

Formula: C17H17BrN2O2S

SMILES: CC1=CC(NC(=O)CSCC(=O)NC2=CC=CC=C2)=CC=C1Br

IUPAC: N-(4-bromo-3-methylphenyl)-2-{[(phenylcarbamoyl)methyl]sulfanyl}acetamide

InChI: InChI=1S/C17H17BrN2O2S/c1-12-9-14(7-8-15(12)18)20-17(22)11-23-10-16(21)19-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)

Composition: C (51.92%), H (4.36%), Br (20.32%), N (7.12%), O (8.14%), S (8.15%)

Molar Mass: 393.3

Atom Count: 40

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 392.019412
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey BAILHKRKTSDNGI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.57
Topological Polar Surface Area 58.2
Polarizability 37.26
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H17BrN2O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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