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590376-22-0 | 2-(4-tert-butylphenyl)-8-methylquinoline-4-carbohydrazide
CAS No: 590376-22-0 Catalog No: AG00JBWZ MDL No:MFCD03420454
Product Description
Catalog Number:
AG00JBWZ
Chemical Name:
2-(4-tert-butylphenyl)-8-methylquinoline-4-carbohydrazide
CAS Number:
590376-22-0
Molecular Formula:
C21H23N3O
Molecular Weight:
333.4268
MDL Number:
MFCD03420454
IUPAC Name:
2-(4-tert-butylphenyl)-8-methylquinoline-4-carbohydrazide
InChI:
InChI=1S/C21H23N3O/c1-13-6-5-7-16-17(20(25)24-22)12-18(23-19(13)16)14-8-10-15(11-9-14)21(2,3)4/h5-12H,22H2,1-4H3,(H,24,25)
InChI Key:
GJGVDJMCMIBCBJ-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cc(nc2c1cccc2C)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.184g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.435g/mol
Monoisotopic Mass:
333.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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