CC(C)(C)C1=CC=C(C=C1)C2=C(CC(C2O)CN(C)C)C3=CC=C(C=C3)S(=O)(=O)C
الاسم: 2-(4-tert-butylphenyl)-5-[(dimethylamino)methyl]-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-ol
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=C(CC(C2O)CN(C)C)C3=CC=C(C=C3)S(=O)(=O)C

Molecular Processing

Molecular formula
C25H33NO3S
Molecular weight
427.61
Exact mass
427.2181
XLogP
4.24
TPSA
57.61
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
124.18

Supplementary Information

InChIKey: WZWNZOCGRJUODF-UHFFFAOYSA-N
مرادفات
SCHEMBL3825052WZWNZOCGRJUODF-UHFFFAOYSA-N2-(4-tert-butylphenyl)-5-dimethylaminomethyl-3-(4-methanesulfonylphenyl)-cyclopent-2-enol
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