Nipamovir

CAT: 0607-BA1957-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1957-10Size:10 mg

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

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CAS Number

2651908-78-8

Molecular Formula

C14H15N5O4S

Molecular Weight

349.37

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Nipamovir

CAS Number	2651908-78-8
PubChem CID	156497856
IUPAC Name	N-(3-amino-3-oxopropyl)-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylbenzamide
Molecular Formula	C14H15N5O4S
Molecular Weight	349.37
XLogP	0.7
Topological Polar Surface Area	161
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	486

SMILES

CN1C=NC(=C1SC2=CC=CC=C2C(=O)NCCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O4S/c1-18-8-17-12(19(22)23)14(18)24-10-5-3-2-4-9(10)13(21)16-7-6-11(15)20/h2-5,8H,6-7H2,1H3,(H2,15,20)(H,16,21)

InChIKey

VCFXTULPPKLMGT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2651908-78-8

CID: 156497856

Formula: C14H15N5O4S

MW: 349.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	349.37
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	349.08447515
Monoisotopic Mass	349.08447515
Topological Polar Surface Area	161 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	486
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

Catalog	Name
HY-162074-01	Nipamovir