Name: tert-Butyl ((1R,3S)-3-isopropyl-3-{[3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]carbonyl}cyclopentyl)carbamate
SMILES:
CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NC(=O)OC(C)(C)C)C1Molecular Processing
Molecular formula
C23H32F3N3O3
Molecular weight
455.52
Exact mass
455.2396
XLogP
4.7
TPSA
71.53
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
32
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.696
Molar refractivity
112.64
Supplementary Information
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