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SC 51322

CAT: 0013-GTR19200849-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200849-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SC 51322
CAS Number
146032-79-3
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
C (NNC (CCSCC1=CC=CO1) =O) (=O) N2C=3C (OC=4C (C2) =CC=CC4) =CC=C (Cl) C3
Molecular Formula
C22H20ClN3O4S
Molecular Weight
457.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SC-51322
CAS Number146032-79-3
PubChem CID9933831
IUPAC Name3-chloro-N'-[3-(furan-2-ylmethylsulfanyl)propanoyl]-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide
Molecular FormulaC22H20ClN3O4S
Molecular Weight457.9
XLogP3.5
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity628
SMILES
C1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)CCSCC4=CC=CO4)C=C(C=C3)Cl
InChI
InChI=1S/C22H20ClN3O4S/c23-16-7-8-20-18(12-16)26(13-15-4-1-2-6-19(15)30-20)22(28)25-24-21(27)9-11-31-14-17-5-3-10-29-17/h1-8,10,12H,9,11,13-14H2,(H,24,27)(H,25,28)
InChIKey
CQBVTZDISUKDSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SC-51322
CAS: 146032-79-3
CID: 9933831
Formula: C22H20ClN3O4S
MW: 457.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.9
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass457.0863050
Monoisotopic Mass457.0863050
Topological Polar Surface Area109 Ų
Heavy Atom Count31
Formal Charge0
Complexity628
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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