SMILES:
COc1cc(CN(C(=O)C2=C(c3ccc(OCCOc4cc(F)ccc4Cl)cc3)C[C@@H]3CN(C(C)=O)C[C@H]2N3)C2CC2)cc(OC)c1.O=COMolecular Processing
Molecular formula
C37H41ClFN3O8
Molecular weight
710.2
Exact mass
709.2566
XLogP
5.19
TPSA
126.87
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
50
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
2
Fraction Csp3
0.378
Molar refractivity
185.16
Supplementary Information
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