Name: tert-butyl 4-(3-(4-(3,4-difluoro-2-(trifluoro-methyl)phenyl)piperidine-1-carbonyl)-1,4,5,6-tetrahydro-pyrrolo[3,4-c]pyrazole-5-carbonyl)piperazine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCN(C(=O)N2Cc3[nH]nc(C(=O)N4CCC(c5ccc(F)c(F)c5C(F)(F)F)CC4)c3C2)CC1Molecular Processing
Molecular formula
C28H33F5N6O4
Molecular weight
612.6
Exact mass
612.2483
XLogP
4.71
TPSA
102.08
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
43
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
141.85
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→