PNU-176798 1mg

CAT: 0628-A12564-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A12564-1Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

428861-91-0

Chemical Information

Pnu-176798

CAS Number	428861-91-0
PubChem CID	10338562
IUPAC Name	N-[[(5S)-3-[4-(5-cyano-1,3-thiazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Molecular Formula	C16H13FN4O3S
Molecular Weight	360.4
XLogP	1.7
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	583

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=NC=C(S3)C#N)F

InChI

InChI=1S/C16H13FN4O3S/c1-9(22)19-6-11-8-21(16(23)24-11)10-2-3-13(14(17)4-10)15-20-7-12(5-18)25-15/h2-4,7,11H,6,8H2,1H3,(H,19,22)/t11-/m0/s1

InChIKey

FGUCVLMMGZZQBB-NSHDSACASA-N

Chemical Structure

2D Structure

CAS: 428861-91-0

CID: 10338562

Formula: C16H13FN4O3S

MW: 360.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	360.4
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	360.06923963
Monoisotopic Mass	360.06923963
Topological Polar Surface Area	124 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	583
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

Catalog	Name
A12564-50	PNU-176798 50mg
A12564-100	PNU-176798 100mg
A12564-5	PNU-176798 5mg
A12564-25	PNU-176798 25mg
A12564-10	PNU-176798 10mg
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