SMILES:
Cl.Cl.O.OC(Nc1ccccc1)=[SH]CCCN1CCN(Cc2ccccc2)CC1Molecular Processing
Molecular formula
C21H33Cl2N3O2S
Molecular weight
462.49
Exact mass
461.1671
XLogP
3.44
TPSA
70.24
H-bond donors
3
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
4
Fraction Csp3
0.381
Molar refractivity
132.44
Supplementary Information
No supplementary data available
Impliqué dans 2 réactions→