Cc1cc(C#N)cc2c1NC(c1cccc(NC(C)(C)C(=O)O)c1)CC2(C)C
SMILES: Cc1cc(C#N)cc2c1NC(c1cccc(NC(C)(C)C(=O)O)c1)CC2(C)C

Molecular Processing

Molecular formula
C23H27N3O2
Molecular weight
377.49
Exact mass
377.2103
XLogP
4.98
TPSA
85.15
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
111.68

Supplementary Information

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