이름: methyl 2-{[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]amino}-5-ethylbenzoate
SMILES:
CCc1ccc(Nc2cc(C(C)(C)C)nn2-c2ccccc2C)c(C(=O)OC)c1Molecular Processing
Molecular formula
C24H29N3O2
Molecular weight
391.52
Exact mass
391.226
XLogP
5.57
TPSA
56.15
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
117.44
Supplementary Information
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