Name: tert-butyl 1-(2,3-difluorobenzyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-diazepan-6-ylcarbamate
SMILES:
CC(C)(C)OC(=O)NC1CN(Cc2cccc(F)c2F)CCN(CC(F)(F)F)C1=OMolecular Processing
Molecular formula
C19H24F5N3O3
Molecular weight
437.41
Exact mass
437.1738
XLogP
3.06
TPSA
61.88
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
30
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
97.43
Supplementary Information
Details werden geladen…
An 13 Reaktionen beteiligt→