SMILES:
COc1cc2c(cc1OC1(C3CCN(CCNC=O)C3)C=CC=CN1)nc(Nc1ccc(Cl)cc1)n2CMolecular Processing
Molecular formula
C27H31ClN6O3
Molecular weight
523.04
Exact mass
522.2146
XLogP
3.8
TPSA
92.68
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
145.39
Supplementary Information
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