NR160

CAT: 0926-JZD89550-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-JZD89550-02Size:25 mg

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CAS Number

2484895-50-1

Smiles

CCOC (=O) C1=C (C (=C (N1) C) C#N) C

Molecular Formula

C25H21F3N6O3

Molecular Weight

510.50 g/mol

Controlled

Chemical Information

N-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-(trifluoromethyl)benzamide

CAS Number	2484895-50-1
PubChem CID	146680839
IUPAC Name	N-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-(trifluoromethyl)benzamide
Molecular Formula	C25H21F3N6O3
Molecular Weight	510.5
XLogP	3.3
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Heavy Atom Count	37
Formal Charge	0
Complexity	758

SMILES

C1=CC=C(C=C1)CN2C(=NN=N2)CN(CC3=CC=C(C=C3)C(=O)NO)C(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C25H21F3N6O3/c26-25(27,28)21-9-5-4-8-20(21)24(36)33(14-18-10-12-19(13-11-18)23(35)30-37)16-22-29-31-32-34(22)15-17-6-2-1-3-7-17/h1-13,37H,14-16H2,(H,30,35)

InChIKey

MEWDNULKAXEKII-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2484895-50-1

CID: 146680839

Formula: C25H21F3N6O3

MW: 510.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	510.5
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	510.16272304
Monoisotopic Mass	510.16272304
Topological Polar Surface Area	113 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	758
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
HY-139181	NR160

NR160

Chemical Information

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