SMILES:
COc1cnc2ccc(=O)n(CCN3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1.ClMolecular Processing
Molecular formula
C24H29ClN6O4
Molecular weight
500.99
Exact mass
500.1939
XLogP
1.81
TPSA
110.61
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.417
Molar refractivity
134.47
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→