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Home > Nitro Compounds > 174072-92-5
174072-92-5 | 5-Methyl-6-(4-nitro-phenyl)-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CAS No: 174072-92-5 Catalog No: AG00JRYR MDL No:
Product Description
Catalog Number:
AG00JRYR
Chemical Name:
5-Methyl-6-(4-nitro-phenyl)-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CAS Number:
174072-92-5
Molecular Formula:
C19H13N3O4S
Molecular Weight:
379.3892
IUPAC Name:
5-methyl-6-(4-nitrophenyl)-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
InChI:
InChI=1S/C19H13N3O4S/c1-11-15-17(27-16(11)12-7-9-14(10-8-12)22(25)26)20-19(24)21(18(15)23)13-5-3-2-4-6-13/h2-10H,1H3,(H,20,24)
InChI Key:
ZPWIMHDIZLLQRL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1sc2c(c1C)c(=O)n(c(=O)[nH]2)c1ccccc1
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.063g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.39g/mol
Monoisotopic Mass:
379.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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