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4-bromo-N-{1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl}benzamide

4-bromo-N-{1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl}benzamide

CAS: 1426916-00-8

Formula: C23H26BrFN4O2

SMILES: CC(CN1CCC2(CC1)N(CNC2=O)C1=CC(F)=CC=C1)NC(=O)C1=CC=C(Br)C=C1

IUPAC: 4-bromo-N-{1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl}benzamide

InChI: InChI=1/C23H26BrFN4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)

Composition: C (56.45%), H (5.36%), Br (16.33%), F (3.88%), N (11.45%), O (6.54%)

Molar Mass: 489.389

Atom Count: 57

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 488.122317
Formal Charge 0
FSP3 0.39
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey RFKXAYJUFUZBMA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 121.94
Topological Polar Surface Area 64.68
Polarizability 46.06
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1426916-00-8 $572.47-$2,559.73$572.47$572.47$1,566.65$1,566.65$2,559.73
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