Cc1ncc(-c2ccc(C(C)N3CCC(CCCO)(c4ccc(F)cc4)OC3=O)cc2)cn1
SMILES: Cc1ncc(-c2ccc(C(C)N3CCC(CCCO)(c4ccc(F)cc4)OC3=O)cc2)cn1

Molecular Processing

Molecular formula
C26H28FN3O3
Molecular weight
449.53
Exact mass
449.2115
XLogP
5.16
TPSA
75.55
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
122.82

Supplementary Information

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