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Home > Nitro Compounds > 303988-16-1
303988-16-1 | 4-[(4-methylphenyl)sulfanyl]-3-nitro-N-(propan-2-yl)benzamide
CAS No: 303988-16-1 Catalog No: AG00IVOY MDL No:MFCD01569098
Product Description
Catalog Number:
AG00IVOY
Chemical Name:
4-[(4-methylphenyl)sulfanyl]-3-nitro-N-(propan-2-yl)benzamide
CAS Number:
303988-16-1
Molecular Formula:
C17H18N2O3S
Molecular Weight:
330.4014
MDL Number:
MFCD01569098
IUPAC Name:
4-(4-methylphenyl)sulfanyl-3-nitro-N-propan-2-ylbenzamide
InChI:
InChI=1S/C17H18N2O3S/c1-11(2)18-17(20)13-6-9-16(15(10-13)19(21)22)23-14-7-4-12(3)5-8-14/h4-11H,1-3H3,(H,18,20)
InChI Key:
VTESNOPJCJEPNF-UHFFFAOYSA-N
SMILES:
CC(NC(=O)c1ccc(c(c1)[N+](=O)[O-])Sc1ccc(cc1)C)C
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.104g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.402g/mol
Monoisotopic Mass:
330.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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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