CC(=O)NCCCN(C)[C@H]1CC[C@H](C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)oc3cccnc23)CC1
SMILES: CC(=O)NCCCN(C)[C@H]1CC[C@H](C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)oc3cccnc23)CC1

Molecular Processing

Molecular formula
C26H31ClN6O4
Molecular weight
527.03
Exact mass
526.2095
XLogP
4.08
TPSA
129.46
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
141.52

Supplementary Information

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