COC(=O)CCCCCNc1ccc(Cl)cc1C(=O)N[C@@H](Cc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1)C(=O)OC
SMILES: COC(=O)CCCCCNc1ccc(Cl)cc1C(=O)N[C@@H](Cc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1)C(=O)OC

Molecular Processing

Molecular formula
C36H37ClN2O6
Molecular weight
629.15
Exact mass
628.234
XLogP
7.46
TPSA
102.96
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
15
Heavy atoms
45
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
175.79

Supplementary Information

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