SMILES:
Clc1cccc(Nc2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCSC3)c1ClMolecular Processing
Molecular formula
C20H21Cl2N3S
Molecular weight
406.38
Exact mass
405.0833
XLogP
5.25
TPSA
27.3
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
26
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
113.71
Supplementary Information
Obteniendo detalles…
Participa en 2 reacciones→