الاسم: ethyl 3-{[(4-{[cyclopentyl(3-methyl-1-benzothiophen-2-yl)methyl]amino}phenyl)carbonyl](methyl)amino}propanoate
SMILES:
CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2sc3ccccc3c2C)C2CCCC2)cc1Molecular Processing
Molecular formula
C28H34N2O3S
Molecular weight
478.66
Exact mass
478.229
XLogP
6.58
TPSA
58.64
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
139.54
Supplementary Information
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