O=C1O[C@@H](CN(C(=O)OCC(Cl)(Cl)Cl)c2ccon2)CN1c1ccc(C2=CCN(Cc3ccccc3)CC2)c(F)c1
SMILES: O=C1O[C@@H](CN(C(=O)OCC(Cl)(Cl)Cl)c2ccon2)CN1c1ccc(C2=CCN(Cc3ccccc3)CC2)c(F)c1

Molecular Processing

Molecular formula
C28H26Cl3FN4O5
Molecular weight
623.9
Exact mass
622.0953
XLogP
6.44
TPSA
88.35
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
41
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
153.81

Supplementary Information

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