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691887-95-3 | 4-tert-butyl-N'-[(1E)-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methylidene]benzohydrazide
CAS No: 691887-95-3 Catalog No: AG00IQAW MDL No:MFCD03012718
Product Description
Catalog Number:
AG00IQAW
Chemical Name:
4-tert-butyl-N'-[(1E)-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methylidene]benzohydrazide
CAS Number:
691887-95-3
Molecular Formula:
C19H20N4OS
Molecular Weight:
352.4533
MDL Number:
MFCD03012718
IUPAC Name:
4-tert-butyl-N-[(E)-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methylideneamino]benzamide
InChI:
InChI=1S/C19H20N4OS/c1-19(2,3)15-8-6-14(7-9-15)17(24)22-21-13-16-5-4-11-23(16)18-20-10-12-25-18/h4-13H,1-3H3,(H,22,24)/b21-13+
InChI Key:
PEVRKITUFUKAFL-FYJGNVAPSA-N
SMILES:
O=C(c1ccc(cc1)C(C)(C)C)N/N=C/c1cccn1c1nccs1
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
352.136g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.456g/mol
Monoisotopic Mass:
352.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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