Name: dihydrochloride
SMILES:
Cl.Cl.O=C(NC1CCNCC1)c1ccc2[nH]c3c(c2c1)CN(Cc1ccc(C(F)(F)F)cc1)CC3Molecular Processing
Molecular formula
C25H29Cl2F3N4O
Molecular weight
529.43
Exact mass
528.1671
XLogP
5.07
TPSA
60.16
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
3
Fraction Csp3
0.4
Molar refractivity
135.41
Supplementary Information
Details werden geladen…
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