الاسم: [2-(4-tert-butylphenyl)-5-[(dimethylamino)methyl]-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-yl] acetate
SMILES:
CC(=O)OC1C(CC(=C1C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)S(=O)(=O)C)CN(C)CMolecular Processing
Molecular formula
C27H35NO4S
Molecular weight
469.65
Exact mass
469.2287
XLogP
4.81
TPSA
63.68
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
133.72
Supplementary Information
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