Name: 3-cyclopentyl-2-[4-(4-methyl-piperazine-1-sulfonyl)-phenyl]-propionic acid ethyl ester
SMILES:
CCOC(=O)C(CC1CCCC1)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1Molecular Processing
Molecular formula
C21H32N2O4S
Molecular weight
408.56
Exact mass
408.2083
XLogP
2.85
TPSA
66.92
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
108.65
Supplementary Information
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Involved in 6 reactions→