Name: N-{3-[1-(2-fluoro-4-iodophenyl)-3-(4-methoxybenzyl)-6,8-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidin-5-ylamino]-phenyl}-acetamide
SMILES:
COc1ccc(Cn2c(=O)c3c(Nc4cccc(NC(C)=O)c4)c(C)c(=O)n(C)c3n(-c3ccc(I)cc3F)c2=O)cc1Molecular Processing
Molecular formula
C31H27FIN5O5
Molecular weight
695.49
Exact mass
695.1041
XLogP
4.66
TPSA
116.36
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
43
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.161
Molar refractivity
172.58
Supplementary Information
Details werden geladen…
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