SMILES:
Cl.O=C1CCC(N2C(=O)c3cccc(CNC(=O)Nc4cccnc4)c3C2=O)C(=O)N1Molecular Processing
Molecular formula
C20H18ClN5O5
Molecular weight
443.85
Exact mass
443.0996
XLogP
1.23
TPSA
137.57
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.2
Molar refractivity
110.46
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→