SMILES:
CNC(=O)COc1cccc2c1ccc(=O)n2CCN1CCC(NCc2ccc3c(c2)OCCO3)CC1.ClMolecular Processing
Molecular formula
C28H35ClN4O5
Molecular weight
543.06
Exact mass
542.2296
XLogP
2.57
TPSA
94.06
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.429
Molar refractivity
148.75
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→