이름: (RS)-4-[4-(2,5-dimethyl-phenyl)-piperazine-1-carbonyl]-3-phenyl-1-(toluene-4-sulfonyl)-imidazolidin-2-one
SMILES:
Cc1ccc(S(=O)(=O)N2CC(C(=O)N3CCN(c4cc(C)ccc4C)CC3)N(c3ccccc3)C2=O)cc1Molecular Processing
Molecular formula
C29H32N4O4S
Molecular weight
532.67
Exact mass
532.2144
XLogP
3.96
TPSA
81.24
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
147.88
Supplementary Information
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