SMILES:
Cl.Cl.OC(Nc1ccc(F)cc1)=[SH]CCCN1CCN(Cc2ccc(Cl)cc2)CC1Molecular Processing
Molecular formula
C21H29Cl3FN3OS
Molecular weight
496.91
Exact mass
495.1081
XLogP
5.05
TPSA
38.74
H-bond donors
3
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
3
Fraction Csp3
0.381
Molar refractivity
133.79
Supplementary Information
No supplementary data available
Impliqué dans 2 réactions→