Products for Research Use Only
RegisterLogin

VT104

CAT: 0127-BUP12097-02Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP12097-02Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2417718-25-1
Purity
=98%
Smiles
C[C@H](NC(=O)c1ccc2c(cccc2c1)-c1ccc(cc1)C(F)(F)F)c1ccccn1

Chemical Information

(S)-N-(1-(Pyridin-2-YL)ethyl)-5-(4-(trifluoromethyl)phenyl)-2-naphthamide
CAS Number2417718-25-1
PubChem CID146909371
IUPAC NameN-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
Molecular FormulaC25H19F3N2O
Molecular Weight420.4
XLogP5.8
Topological Polar Surface Area42
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity602
SMILES
C[C@@H](C1=CC=CC=N1)NC(=O)C2=CC3=C(C=C2)C(=CC=C3)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C25H19F3N2O/c1-16(23-7-2-3-14-29-23)30-24(31)19-10-13-22-18(15-19)5-4-6-21(22)17-8-11-20(12-9-17)25(26,27)28/h2-16H,1H3,(H,30,31)/t16-/m0/s1
InChIKey
AAZUPSFRSHFTGV-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of (S)-N-(1-(Pyridin-2-YL)ethyl)-5-(4-(trifluoromethyl)phenyl)-2-naphthamide
CAS: 2417718-25-1
CID: 146909371
Formula: C25H19F3N2O
MW: 420.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.4
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass420.14494772
Monoisotopic Mass420.14494772
Topological Polar Surface Area42 Ų
Heavy Atom Count31
Formal Charge0
Complexity602
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

Related Products

CatalogName
BUP08601-01VT103
BUP11956-01VT107

Alternative Products

CatalogName
BA9124-5VT104
HY-134956B-01(R) -VT104

Popular Products