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VT107

CAT: 0127-BUP11956-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP11956-04Size:50 mg
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CAS Number
2417718-63-7
Purity
=98%
Smiles
C[C@H](NC(=O)c1ccc2c(cccc2c1)-c1ccc(cc1)C(F)(F)F)c1cccc(N)n1

Chemical Information

N-[(1S)-1-(6-amino-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-2-Naphthalenecarboxamide
CAS Number2417718-63-7
PubChem CID153583246
IUPAC NameN-[(1S)-1-(6-amino-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
Molecular FormulaC25H20F3N3O
Molecular Weight435.4
XLogP5.5
Topological Polar Surface Area68
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity634
SMILES
C[C@@H](C1=NC(=CC=C1)N)NC(=O)C2=CC3=C(C=C2)C(=CC=C3)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C25H20F3N3O/c1-15(22-6-3-7-23(29)31-22)30-24(32)18-10-13-21-17(14-18)4-2-5-20(21)16-8-11-19(12-9-16)25(26,27)28/h2-15H,1H3,(H2,29,31)(H,30,32)/t15-/m0/s1
InChIKey
OBEXKSHQMHIUFP-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of N-[(1S)-1-(6-amino-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-2-Naphthalenecarboxamide
CAS: 2417718-63-7
CID: 153583246
Formula: C25H20F3N3O
MW: 435.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.4
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass435.15584676
Monoisotopic Mass435.15584676
Topological Polar Surface Area68 Ų
Heavy Atom Count32
Formal Charge0
Complexity634
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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