Name: tert-butyl {(5R,6S,8S)-5-methyl-6-phenyl-3-[1-(trifluoromethyl)cyclopropyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-8-yl}carbamate
SMILES:
C[C@@H]1[C@H](c2ccccc2)C[C@H](NC(=O)OC(C)(C)C)c2nnc(C3(C(F)(F)F)CC3)n21Molecular Processing
Molecular formula
C22H27F3N4O2
Molecular weight
436.48
Exact mass
436.2086
XLogP
5.19
TPSA
69.04
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
107.61
Supplementary Information
Details werden geladen…
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