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590355-38-7 | 2-(4-isopropoxyphenyl)-6-methylquinoline-4-carbohydrazide
CAS No: 590355-38-7 Catalog No: AG00JBWX MDL No:MFCD03420417
Product Description
Catalog Number:
AG00JBWX
Chemical Name:
2-(4-isopropoxyphenyl)-6-methylquinoline-4-carbohydrazide
CAS Number:
590355-38-7
Molecular Formula:
C20H21N3O2
Molecular Weight:
335.3996
MDL Number:
MFCD03420417
IUPAC Name:
6-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carbohydrazide
InChI:
InChI=1S/C20H21N3O2/c1-12(2)25-15-7-5-14(6-8-15)19-11-17(20(24)23-21)16-10-13(3)4-9-18(16)22-19/h4-12H,21H2,1-3H3,(H,23,24)
InChI Key:
VFOHERJWIHWHMD-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cc(nc2c1cc(C)cc2)c1ccc(cc1)OC(C)C
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.163g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.407g/mol
Monoisotopic Mass:
335.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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