Cc1ccc(C2=NC(CCCNC(=O)OCc3ccccc3)CN2C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1
SMILES: Cc1ccc(C2=NC(CCCNC(=O)OCc3ccccc3)CN2C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1

Molecular Processing

Molecular formula
C40H42ClN5O3
Molecular weight
676.26
Exact mass
675.2976
XLogP
7.94
TPSA
88.82
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
49
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
196.21

Supplementary Information

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