SC 51316

CAT: 0013-GTR19208449-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19208449-03Size:100 mg

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Description

SC 51316

CAS Number

133690-62-7

Field of Research

Metabolism Research

Smiles

C (C1=CC=C (C2=C (C=CC=C2) C=3NN=NN3) C=C1) N4C (CCCC) =NN (CCCC) C4=O

Molecular Formula

C24H29N7O

Molecular Weight

431.53

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

SC 51316

structure given in first source; an angiotensin II receptor antagonist

CAS Number	133690-62-7
PubChem CID	131654
IUPAC Name	2,5-dibutyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
Molecular Formula	C24H29N7O
Molecular Weight	431.5
XLogP	4.5
Topological Polar Surface Area	90.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	32
Formal Charge	0
Complexity	634

SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CCCC

InChI

InChI=1S/C24H29N7O/c1-3-5-11-22-27-31(16-6-4-2)24(32)30(22)17-18-12-14-19(15-13-18)20-9-7-8-10-21(20)23-25-28-29-26-23/h7-10,12-15H,3-6,11,16-17H2,1-2H3,(H,25,26,28,29)

InChIKey

STODEQQYGGTXOS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 133690-62-7

CID: 131654

Formula: C24H29N7O

MW: 431.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	431.5
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	431.24335857
Monoisotopic Mass	431.24335857
Topological Polar Surface Area	90.4 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	634
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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