COC(=O)[C@H](Cc1ccc(-c2ccncc2)cc1)NC(=O)C1Cc2cc3c(cc2CN1C(=O)c1ccccc1)O[C@@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)N3
SMILES: COC(=O)[C@H](Cc1ccc(-c2ccncc2)cc1)NC(=O)C1Cc2cc3c(cc2CN1C(=O)c1ccccc1)O[C@@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)N3

Molecular Processing

Molecular formula
C47H38Cl2N4O7
Molecular weight
841.75
Exact mass
840.2118
XLogP
8.17
TPSA
136.16
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
60
Rings
8
Aromatic rings
6
Saturated rings
0
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.17
Molar refractivity
226.81

Supplementary Information

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