SMILES:
COc1cccc(-c2cnc3[nH]ccc3c2N2CCN(C(=O)[C@H](N)Cc3ccc(Cl)cc3)CC2)c1Molecular Processing
Molecular formula
C27H28ClN5O2
Molecular weight
490.01
Exact mass
489.1932
XLogP
4.11
TPSA
87.48
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
140.01
Supplementary Information
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