SMILES:
Cc1cc(C#N)cc2c1NC(c1cccc(NC3(C(=O)O)CC3)c1)CC2(C)CMolecular Processing
Molecular formula
C23H25N3O2
Molecular weight
375.47
Exact mass
375.1947
XLogP
4.73
TPSA
85.15
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
109.57
Supplementary Information
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