O=C(c1cccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1)N1CCN(c2ccccc2)CC1
SMILES: O=C(c1cccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1)N1CCN(c2ccccc2)CC1

Molecular Processing

Molecular formula
C32H29ClF3N5O
Molecular weight
592.07
Exact mass
591.2013
XLogP
6.82
TPSA
51.71
H-bond donors
1
H-bond acceptors
5
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
10
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
160.23

Supplementary Information

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