SMILES:
O=C(Nc1ccc(Cc2c(Cl)cccc2Cl)cn1)C1(c2ccc3c(c2)OCO3)CC1Molecular Processing
Molecular formula
C23H18Cl2N2O3
Molecular weight
441.31
Exact mass
440.0694
XLogP
5.38
TPSA
60.45
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
115.61
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→