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Home > Nitro Compounds > 303988-15-0
303988-15-0 | N-cyclohexyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzamide
CAS No: 303988-15-0 Catalog No: AG00IVM9 MDL No:MFCD01569097
Product Description
Catalog Number:
AG00IVM9
Chemical Name:
N-cyclohexyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzamide
CAS Number:
303988-15-0
Molecular Formula:
C20H22N2O3S
Molecular Weight:
370.4653
MDL Number:
MFCD01569097
IUPAC Name:
N-cyclohexyl-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide
InChI:
InChI=1S/C20H22N2O3S/c1-14-7-10-17(11-8-14)26-19-12-9-15(13-18(19)22(24)25)20(23)21-16-5-3-2-4-6-16/h7-13,16H,2-6H2,1H3,(H,21,23)
InChI Key:
ISPNCJFRBJMQHW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Sc1ccc(cc1[N+](=O)[O-])C(=O)NC1CCCCC1
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.135g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.467g/mol
Monoisotopic Mass:
370.135g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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