이름: 3-[(2-chloro-4-iodophenyl)amino]-N-{[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy}isonicotinamide
SMILES:
CC1(C)OC[C@H](CONC(=O)c2ccncc2Nc2ccc(I)cc2Cl)O1Molecular Processing
Molecular formula
C18H19ClIN3O4
Molecular weight
503.72
Exact mass
503.0109
XLogP
3.9
TPSA
81.71
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
110.01
Supplementary Information
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