Name: tert-Butyl 3-(methoxymethyl)-3-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)pyrrolidine-1-carboxylate
SMILES:
COCC1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCN(C(=O)OC(C)(C)C)C1Molecular Processing
Molecular formula
C21H28F3N3O4
Molecular weight
443.47
Exact mass
443.2032
XLogP
3.26
TPSA
71.97
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
31
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
105.09
Supplementary Information
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