CC1(C)c2cc(C(=O)NC(CO)CO)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
SMILES: CC1(C)c2cc(C(=O)NC(CO)CO)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21

Molecular Processing

Molecular formula
C23H21N3O4
Molecular weight
403.44
Exact mass
403.1532
XLogP
1.99
TPSA
126.21
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
110.44

Supplementary Information

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