O=C(N1CCOCC1)N1CC(c2ccc(OC(F)(F)F)cc2)CC(c2nc(C3CC3)cs2)C1
SMILES: O=C(N1CCOCC1)N1CC(c2ccc(OC(F)(F)F)cc2)CC(c2nc(C3CC3)cs2)C1

Molecular Processing

Molecular formula
C23H26F3N3O3S
Molecular weight
481.54
Exact mass
481.1647
XLogP
4.94
TPSA
54.9
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
33
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.565
Molar refractivity
116.67

Supplementary Information

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