Name: methyl 2-chloro-5-[3,6-dihydro-2,6-dioxo-4-trifluoromethyl-1(2H)-pyrimidinyl]-4-fluorobenzoate
SMILES:
COC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1ClMolecular Processing
Molecular formula
C13H7ClF4N2O4
Molecular weight
366.65
Exact mass
366.003
XLogP
2.12
TPSA
81.16
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
73.97
Supplementary Information
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