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691887-96-4

691887-96-4 | N'-[(1E)-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methylidene]furan-2-carbohydrazide

CAS No: 691887-96-4 Catalog No: AG00IU5D MDL No:MFCD03012719

Product Description

Catalog Number:
AG00IU5D
Chemical Name:
N'-[(1E)-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methylidene]furan-2-carbohydrazide
CAS Number:
691887-96-4
Molecular Formula:
C13H10N4O2S
Molecular Weight:
286.3091
MDL Number:
MFCD03012719
IUPAC Name:
N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide
InChI:
InChI=1S/C13H10N4O2S/c18-12(11-4-2-7-19-11)16-15-9-10-3-1-6-17(10)13-14-5-8-20-13/h1-9H,(H,16,18)
InChI Key:
CKXWPDSDPPRMGD-UHFFFAOYSA-N
SMILES:
O=C(c1ccco1)N/N=C/c1cccn1c1nccs1

Properties

Complexity:
379  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.052g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
286.309g/mol
Monoisotopic Mass:
286.052g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.3  

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