O=C(c1cccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1)N1CCN(c2ncccn2)CC1
SMILES: O=C(c1cccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1)N1CCN(c2ncccn2)CC1

Molecular Processing

Molecular formula
C30H27ClF3N7O
Molecular weight
594.04
Exact mass
593.1918
XLogP
5.61
TPSA
77.49
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
42
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
155.82

Supplementary Information

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