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AZD 7762 Hydrochloride

CAT: 0926-WZB09478-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-WZB09478-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246094-78-9
MDL Number
MFCD12546135
Smiles
C1C[C@@H] (CNC1) NC (=O) C2=C (C=C (S2) C3=CC (=CC=C3) F) NC (=O) N
Molecular Formula
C17H19FN4O2S·HCl
Molecular Weight
362.42 g/mol
Controlled
No

Chemical Information

(S)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide hydrochloride
CAS Number1246094-78-9
PubChem CID56972142
IUPAC Name3-(carbamoylamino)-5-(3-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide;hydrochloride
Molecular FormulaC17H20ClFN4O2S
Molecular Weight398.9
Topological Polar Surface Area124
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity495
SMILES
C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N.Cl
InChI
InChI=1S/C17H19FN4O2S.ClH/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12;/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24);1H/t12-;/m0./s1
InChIKey
WFZBLOIXZRZEDG-YDALLXLXSA-N
Chemical Structure
2D Structure
2D structure of (S)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide hydrochloride
CAS: 1246094-78-9
CID: 56972142
Formula: C17H20ClFN4O2S
MW: 398.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass398.0979529
Monoisotopic Mass398.0979529
Topological Polar Surface Area124 Ų
Heavy Atom Count26
Formal Charge0
Complexity495
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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