CCOC(=O)C(CC1CCCC1)C2=CC=C(C=C2)S(=O)(=O)CC
Name: ethyl 3-cyclopentyl-2-(4-ethylsulfonylphenyl)propanoate
SMILES: CCOC(=O)C(CC1CCCC1)C2=CC=C(C=C2)S(=O)(=O)CC

Molecular Processing

Molecular formula
C18H26O4S
Molecular weight
338.47
Exact mass
338.1552
XLogP
3.71
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
90.12

Supplementary Information

InChIKey: VKTIKSLIPNUGDC-UHFFFAOYSA-N
Synonyme
SCHEMBL2646165VKTIKSLIPNUGDC-UHFFFAOYSA-N3-cyclopentyl-2-(4-ethanesulfonyl-phenyl)-propionic acid ethyl ester
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