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Home > Nitro Compounds > 321431-17-8
321431-17-8 | N-(4-methoxyphenyl)-5-methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide
CAS No: 321431-17-8 Catalog No: AG00IOBS MDL No:MFCD00173082
Product Description
Catalog Number:
AG00IOBS
Chemical Name:
N-(4-methoxyphenyl)-5-methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide
CAS Number:
321431-17-8
Molecular Formula:
C17H15N5O4
Molecular Weight:
353.3321
MDL Number:
MFCD00173082
IUPAC Name:
N-(4-methoxyphenyl)-5-methyl-1-(4-nitrophenyl)-1,2,4-triazole-3-carboxamide
InChI:
InChI=1S/C17H15N5O4/c1-11-18-16(17(23)19-12-3-9-15(26-2)10-4-12)20-21(11)13-5-7-14(8-6-13)22(24)25/h3-10H,1-2H3,(H,19,23)
InChI Key:
FJVBGQNYCHZKSI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)c1nc(n(n1)c1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.112g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.338g/mol
Monoisotopic Mass:
353.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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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