Name: ethyl 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]-3-methyl-benzoate
SMILES:
CCOC(=O)c1ccc(-n2ncc(C(=O)NC3C4CC5CC(C4)CC3C5)c2C(C)(C)C)c(C)c1Molecular Processing
Molecular formula
C28H37N3O3
Molecular weight
463.62
Exact mass
463.2835
XLogP
5.21
TPSA
73.22
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
34
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.607
Molar refractivity
131.26
Supplementary Information
Details werden geladen…
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