SMILES:
CN1C2CCC1CC(NC(=O)c1cc(Cl)cc3oc(-c4ccccc4)nc13)C2Molecular Processing
Molecular formula
C22H22ClN3O2
Molecular weight
395.89
Exact mass
395.1401
XLogP
4.5
TPSA
58.37
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
28
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
109.52
Supplementary Information
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