Cc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3ccc(C(F)(F)F)nc3)c3c(c2[nH]1)CC(C)(C)O3
Name: title compound
SMILES: Cc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3ccc(C(F)(F)F)nc3)c3c(c2[nH]1)CC(C)(C)O3

Molecular Processing

Molecular formula
C25H21ClF3N5O2
Molecular weight
515.92
Exact mass
515.1336
XLogP
6.65
TPSA
91.93
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
131.17

Supplementary Information

Details werden geladen…

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