Name: tert-butyl [(1R,3S)-3-isopropyl-3-(4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-ylcarbonyl)cyclopentyl]carbamate
SMILES:
CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)CC[C@@H](NC(=O)OC(C)(C)C)C1Molecular Processing
Molecular formula
C23H34F3N5O3
Molecular weight
485.55
Exact mass
485.2614
XLogP
3.86
TPSA
87.66
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
34
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.739
Molar refractivity
120.11
Supplementary Information
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