SMILES:
Cc1ccc2c(N3CC[C@@H](NC(=O)OC(C)C)C3)nc(-c3ccccc3O)nc2c1.ClMolecular Processing
Molecular formula
C23H27ClN4O3
Molecular weight
442.95
Exact mass
442.1772
XLogP
4.45
TPSA
87.58
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.348
Molar refractivity
123.99
Supplementary Information
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