الاسم: 3-[4-(Azetidin-1-ylcarbonyl)-2-chlorophenoxy]-5-[(1S)-2-hydroxy-1-methylethoxy]-N-(1-isopropyl-1H-pyrazol-3-yl)benzamide
SMILES:
CC(C)n1ccc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)cc3Cl)cc(O[C@@H](C)CO)c2)n1Molecular Processing
Molecular formula
C26H29ClN4O5
Molecular weight
512.99
Exact mass
512.1826
XLogP
4.77
TPSA
105.92
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
136.23
Supplementary Information
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