CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)CC2CCCN2C(=O)OC(C)(C)C
Название: tert-butyl 2-[4-(4-methylphenyl)sulfonyl-2-oxobutyl]pyrrolidine-1-carboxylate
SMILES: CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)CC2CCCN2C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C20H29NO5S
Molecular weight
395.52
Exact mass
395.1766
XLogP
3.52
TPSA
80.75
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
103.43

Supplementary Information

InChIKey: JGUXFGKPFHZZHA-UHFFFAOYSA-N
Синонимы
SCHEMBL5253351JGUXFGKPFHZZHA-UHFFFAOYSA-N(+/-)-1-(t-Butoxycarbonyl)-2-[4-(p-toluenesulfonyl)-2-oxobutyl]pyrolidine(+/-)-1-(t-Butoxycarbonyl)-2-[4-(p-toluenesulfonyl)-2-oxobutyl]pyrrolidine
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