O=C1N(C2CCC(O)CC2)CCC12CCN(c1cc(Br)ccc1F)CC2
SMILES: O=C1N(C2CCC(O)CC2)CCC12CCN(c1cc(Br)ccc1F)CC2

Molecular Processing

Molecular formula
C20H26BrFN2O2
Molecular weight
425.34
Exact mass
424.1162
XLogP
3.71
TPSA
43.78
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
26
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
102.57

Supplementary Information

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