GSK 366 25mg

CAT: 0628-A19150-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A19150-25Size:25 mg

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CAS Number

1953157-39-5

Chemical Information

3-[5-Chloranyl-6-[(1~{r})-1-(6-Methylpyridazin-3-Yl)ethoxy]-1,2-Benzoxazol-3-Yl]propanoic Acid

CAS Number	1953157-39-5
PubChem CID	121415048
IUPAC Name	3-[5-chloro-6-[(1R)-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid
Molecular Formula	C17H16ClN3O4
Molecular Weight	361.8
XLogP	2.4
Topological Polar Surface Area	98.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	469

SMILES

CC1=NN=C(C=C1)[C@@H](C)OC2=C(C=C3C(=C2)ON=C3CCC(=O)O)Cl

InChI

InChI=1S/C17H16ClN3O4/c1-9-3-4-13(20-19-9)10(2)24-16-8-15-11(7-12(16)18)14(21-25-15)5-6-17(22)23/h3-4,7-8,10H,5-6H2,1-2H3,(H,22,23)/t10-/m1/s1

InChIKey

YWASLAPMFGBZQP-SNVBAGLBSA-N

Chemical Structure

2D Structure

CAS: 1953157-39-5

CID: 121415048

Formula: C17H16ClN3O4

MW: 361.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	361.8
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	361.0829337
Monoisotopic Mass	361.0829337
Topological Polar Surface Area	98.3 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	469
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes