SMILES:
COc1ccccc1C1(O)CC(CC#N)CC2CN(C(=O)Cc3ccccc3O)CC21Molecular Processing
Molecular formula
C25H28N2O4
Molecular weight
420.51
Exact mass
420.2049
XLogP
3.23
TPSA
93.79
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
115.22
Supplementary Information
Obteniendo detalles…
Participa en 1 reacciones→