Name: 7-N-(tert-butoxycarbonyl)-8-[(benzyloxy)methyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-α]pyrazine
SMILES:
CC(C)(C)OC(=O)N1CCn2nc(C(F)(F)F)nc2C1COCc1ccccc1Molecular Processing
Molecular formula
C19H23F3N4O3
Molecular weight
412.41
Exact mass
412.1722
XLogP
3.81
TPSA
69.48
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
96.8
Supplementary Information
Details werden geladen…
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