Name: bis(1,1-dimethylethyl)(4-bromo-5-{[({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)amino]carbonyl}-1H-imidazol-2-yl)imidodicarbonate
SMILES:
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(Br)c(C(=O)NCc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2F)[nH]1Molecular Processing
Molecular formula
C28H27BrCl2FN5O6
Molecular weight
699.36
Exact mass
697.0506
XLogP
7.89
TPSA
146.64
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
43
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
160.06
Supplementary Information
Details werden geladen…
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