Name: 2-[4-(tert-Butyl)-2-(1-Boc-piperidin-4-yloxy)benzoylamino]-N-(5-chloropyridin-2-yl)-4-chlorobenzamide
SMILES:
CC(C)(C)OC(=O)N1CCC(Oc2cc(C(C)(C)C)ccc2C(=O)Nc2cc(Cl)ccc2C(=O)Nc2ccc(Cl)cn2)CC1Molecular Processing
Molecular formula
C33H38Cl2N4O5
Molecular weight
641.6
Exact mass
640.2219
XLogP
7.97
TPSA
109.86
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
44
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.394
Molar refractivity
173.2
Supplementary Information
Details werden geladen…
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