Name: 3-((4-(4-Aminobenzoyl)piperazin-1-yl)methyl)-N-tert-butylbenzamide
SMILES:
CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(N)cc3)CC2)c1Molecular Processing
Molecular formula
C23H30N4O2
Molecular weight
394.52
Exact mass
394.2369
XLogP
2.76
TPSA
78.67
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
115.7
Supplementary Information
Details werden geladen…
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