名称: diethyl 2-(4-amino-3-chloro-5-trifluoromethyl-benzyl)-2-{2-oxo-2-[4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidin-1-yl]-ethyl}-malonate
SMILES:
CCOC(=O)C(CC(=O)N1CCC(N2CCc3ccccc3NC2=O)CC1)(Cc1cc(Cl)c(N)c(C(F)(F)F)c1)C(=O)OCCMolecular Processing
Molecular formula
C31H36ClF3N4O6
Molecular weight
653.1
Exact mass
652.2275
XLogP
5.07
TPSA
131.27
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
45
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.484
Molar refractivity
160.36
Supplementary Information
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