CCOC(=O)C1=C(C)NC(COCCN2C(=O)c3ccccc3C2=O)=C(C(=O)OCC)C1c1ccccc1Cl
SMILES: CCOC(=O)C1=C(C)NC(COCCN2C(=O)c3ccccc3C2=O)=C(C(=O)OCC)C1c1ccccc1Cl

Molecular Processing

Molecular formula
C29H29ClN2O7
Molecular weight
553.01
Exact mass
552.1663
XLogP
3.99
TPSA
111.24
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
39
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
142.95

Supplementary Information

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