Nom: (5)-ethyl 2-(3-(2-chloro-5-fluoropyrimidin-4-ylamino)cyclohexylidene)ethanoate
SMILES:
CCOC(=O)C=C1CCC[C@H](Nc2nc(Cl)ncc2F)C1Molecular Processing
Molecular formula
C14H17ClFN3O2
Molecular weight
313.76
Exact mass
313.0993
XLogP
3.11
TPSA
64.11
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
77.59
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→