Name: 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl 4-methylbenzenesulfonate
SMILES:
Cc1ccc(S(=O)(=O)Oc2c(C)c(=O)n(C)c3c2c(=O)n(C2CC2)c(=O)n3-c2ccc(I)cc2F)cc1Molecular Processing
Molecular formula
C25H21FIN3O6S
Molecular weight
637.43
Exact mass
637.018
XLogP
3.31
TPSA
109.37
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
37
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
143.72
Supplementary Information
Details werden geladen…
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