SMILES:
COC[C@H](Nc1nc(N2CCN(c3ccc(Cl)cc3)CC2)nc2c1S(=O)CC2)c1nc2ccc(Cl)cc2[nH]1Molecular Processing
Molecular formula
C26H27Cl2N7O2S
Molecular weight
572.52
Exact mass
571.1324
XLogP
4.45
TPSA
99.27
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
38
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
152.23
Supplementary Information
Obteniendo detalles…
Participa en 3 reacciones→