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8-benzyl-4-(2-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

8-benzyl-4-(2-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

Formula: C22H23FN2O4

SMILES: OC(=O)C1COC2(CCN(CC3=CC=CC=C3)CC2)N1C(=O)C1=C(F)C=CC=C1

IUPAC: 8-benzyl-4-(2-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

InChI: InChI=1/C22H23FN2O4/c23-18-9-5-4-8-17(18)20(26)25-19(21(27)28)15-29-22(25)10-12-24(13-11-22)14-16-6-2-1-3-7-16/h1-9,19H,10-15H2,(H,27,28)

Composition: C (66.32%), H (5.82%), F (4.77%), N (7.03%), O (16.06%)

Molar Mass: 398.434

Atom Count: 52

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 398.164185392
Formal Charge 0
FSP3 0.36
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey ZSMCDNAFXWSARV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.46
Topological Polar Surface Area 70.08
Polarizability 40.3
Ring Count 4
Rotatable Bond Count 4

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Kinentia Biosciences LLC
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Purity LeadTime Formula PacketSize UnitPrice
97% <14 Days C22H23FN2O4 $470.61-$705.92$470.61$705.92
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