이름: 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-propylpyrimidin-4-yl]benzenesulfonamide
SMILES:
CCCC1=NC(=C(C(=N1)OCCO)C2=CC=C(C=C2)C)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)CMolecular Processing
Molecular formula
C26H33N3O4S
Molecular weight
483.63
Exact mass
483.2192
XLogP
4.87
TPSA
101.41
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
134.73
Supplementary Information
InChIKey: IWQUTZOPSCHEMK-UHFFFAOYSA-N
동의어
SCHEMBL8657656IWQUTZOPSCHEMK-UHFFFAOYSA-N4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-n-propylpyrimidin-4-yl]benzenesulfonamide
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