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CAT: 0926-WND10071-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-WND10071-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2221100-71-4
Smiles
C1=CC=C (C=C1) CC (C (=O) N) NC (=O) C2=CN (C3=CC=CC=C32) CCCCCF
Molecular Formula
C23H26FN3O2
Molecular Weight
395.5 g/mol
Controlled
Yes

Chemical Information

(s)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(5-fluoropentyl)-1h-indole-3-carboxamide
CAS Number2221100-71-4
PubChem CID125181260
IUPAC NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-(5-fluoropentyl)indole-3-carboxamide
Molecular FormulaC23H26FN3O2
Molecular Weight395.5
XLogP3.6
Topological Polar Surface Area77.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity538
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)C2=CN(C3=CC=CC=C32)CCCCCF
InChI
InChI=1S/C23H26FN3O2/c24-13-7-2-8-14-27-16-19(18-11-5-6-12-21(18)27)23(29)26-20(22(25)28)15-17-9-3-1-4-10-17/h1,3-6,9-12,16,20H,2,7-8,13-15H2,(H2,25,28)(H,26,29)/t20-/m0/s1
InChIKey
DDVANTXQCRMRFF-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of (s)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(5-fluoropentyl)-1h-indole-3-carboxamide
CAS: 2221100-71-4
CID: 125181260
Formula: C23H26FN3O2
MW: 395.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass395.20090524
Monoisotopic Mass395.20090524
Topological Polar Surface Area77.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity538
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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