O-304 1mg

CAT: 0628-A19807-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A19807-1Size:1 mg

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

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CAS Number

1261289-04-6

Chemical Information

O-304

CAS Number	1261289-04-6
PubChem CID	50923806
IUPAC Name	4-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
Molecular Formula	C16H11Cl2N3O2S
Molecular Weight	380.2
XLogP	4.1
Topological Polar Surface Area	87.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	515

SMILES

C1=CC(=CC=C1CN2C(=O)N=C(S2)NC(=O)C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H11Cl2N3O2S/c17-12-5-1-10(2-6-12)9-21-16(23)20-15(24-21)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22,23)

InChIKey

WEDWLYRQKUTOAX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1261289-04-6

CID: 50923806

Formula: C16H11Cl2N3O2S

MW: 380.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	380.2
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	378.9949032
Monoisotopic Mass	378.9949032
Topological Polar Surface Area	87.1 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	515
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