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1000575-40-5 | 2-(3-Fluorobenzylthio)-4-hydroxy-6-methyl-5-(4-nitrobenzyl)pyrimidine
CAS No: 1000575-40-5 Catalog No: AG01F50X MDL No:
Product Description
Catalog Number:
AG01F50X
Chemical Name:
2-(3-Fluorobenzylthio)-4-hydroxy-6-methyl-5-(4-nitrobenzyl)pyrimidine
CAS Number:
1000575-40-5
Molecular Formula:
C19H16FN3O3S
Molecular Weight:
385.4120
IUPAC Name:
2-[(3-fluorophenyl)methylsulfanyl]-4-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidin-6-one
InChI:
InChI=1S/C19H16FN3O3S/c1-12-17(10-13-5-7-16(8-6-13)23(25)26)18(24)22-19(21-12)27-11-14-3-2-4-15(20)9-14/h2-9H,10-11H2,1H3,(H,21,22,24)
InChI Key:
RPGKWEWATWAZIO-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)CSc1nc(C)c(c(n1)O)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.09g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
385.413g/mol
Monoisotopic Mass:
385.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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