CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1Nc1nc(Cl)c(C(N)=O)cc1F
Name: tert-butyl cis-2-(5-aminocarbonyl-6-chloro-3-fluoropyridin-2-ylamino)cyclohexylcarbamate
SMILES: CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1Nc1nc(Cl)c(C(N)=O)cc1F

Molecular Processing

Molecular formula
C17H24ClFN4O3
Molecular weight
386.86
Exact mass
386.1521
XLogP
3.22
TPSA
106.34
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
96.76

Supplementary Information

Details werden geladen…

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