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Home > Nitro Compounds > 329058-83-5
329058-83-5 | N'-[(1E)-[4-(cyclohexylsulfanyl)-3-nitrophenyl]methylidene]-2-phenylacetohydrazide
CAS No: 329058-83-5 Catalog No: AG00ISVF MDL No:MFCD00955015
Product Description
Catalog Number:
AG00ISVF
Chemical Name:
N'-[(1E)-[4-(cyclohexylsulfanyl)-3-nitrophenyl]methylidene]-2-phenylacetohydrazide
CAS Number:
329058-83-5
Molecular Formula:
C21H23N3O3S
Molecular Weight:
397.4906
MDL Number:
MFCD00955015
IUPAC Name:
N-[(4-cyclohexylsulfanyl-3-nitrophenyl)methylideneamino]-2-phenylacetamide
InChI:
InChI=1S/C21H23N3O3S/c25-21(14-16-7-3-1-4-8-16)23-22-15-17-11-12-20(19(13-17)24(26)27)28-18-9-5-2-6-10-18/h1,3-4,7-8,11-13,15,18H,2,5-6,9-10,14H2,(H,23,25)
InChI Key:
ZLDBKBKAESNNRF-UHFFFAOYSA-N
SMILES:
O=C(Cc1ccccc1)N/N=C/c1ccc(c(c1)[N+](=O)[O-])SC1CCCCC1
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.146g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
397.493g/mol
Monoisotopic Mass:
397.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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