SMILES:
COC(=O)C(=O)N1CCc2c(c(-c3ccc(Cl)c(C)c3)nn2CC(O)CN2CCN(c3ccccc3C#N)CC2)C1Molecular Processing
Molecular formula
C30H33ClN6O4
Molecular weight
577.09
Exact mass
576.2252
XLogP
2.62
TPSA
114.93
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
41
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
154.36
Supplementary Information
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