Name: 3-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]-6-trifluoromethyl-1,2,3,4-tetrahydropyrimidine-2,4,-dione
SMILES:
O=c1cc(C(F)(F)F)[nH]c(=O)n1-c1cc(Oc2ccccc2[N+](=O)[O-])c(Cl)cc1FMolecular Processing
Molecular formula
C17H8ClF4N3O5
Molecular weight
445.71
Exact mass
445.0089
XLogP
4.04
TPSA
107.23
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
95.8
Supplementary Information
No supplementary data available
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