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Home > Nitro Compounds > 477869-44-6
477869-44-6 | 1-({4-[(4-methylphenyl)sulfanyl]-3-nitrophenyl}methyl)piperidine
CAS No: 477869-44-6 Catalog No: AG00IOH3 MDL No:MFCD01814726
Product Description
Catalog Number:
AG00IOH3
Chemical Name:
1-({4-[(4-methylphenyl)sulfanyl]-3-nitrophenyl}methyl)piperidine
CAS Number:
477869-44-6
Molecular Formula:
C19H22N2O2S
Molecular Weight:
342.4552
MDL Number:
MFCD01814726
IUPAC Name:
1-[[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methyl]piperidine
InChI:
InChI=1S/C19H22N2O2S/c1-15-5-8-17(9-6-15)24-19-10-7-16(13-18(19)21(22)23)14-20-11-3-2-4-12-20/h5-10,13H,2-4,11-12,14H2,1H3
InChI Key:
DMCGEDUQPQSKBS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Sc1ccc(cc1[N+](=O)[O-])CN1CCCCC1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.14g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.457g/mol
Monoisotopic Mass:
342.14g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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