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N-(4-bromo-3-methylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

N-(4-bromo-3-methylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

Formula: C16H24BrN3O2

SMILES: CC1=CC(NC(=O)CCN2CCN(CCO)CC2)=CC=C1Br

IUPAC: N-(4-bromo-3-methylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

InChI: InChI=1S/C16H24BrN3O2/c1-13-12-14(2-3-15(13)17)18-16(22)4-5-19-6-8-20(9-7-19)10-11-21/h2-3,12,21H,4-11H2,1H3,(H,18,22)

Composition: C (51.90%), H (6.53%), Br (21.58%), N (11.35%), O (8.64%)

Molar Mass: 370.291

Atom Count: 46

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 369.10519
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey VOLNJKLUYCOPTH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.06
Topological Polar Surface Area 55.81
Polarizability 35.57
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H24BrN3O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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