Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3C)C[C@@H]2C)cn1
SMILES: Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3C)C[C@@H]2C)cn1

Molecular Processing

Molecular formula
C20H22N4O3S
Molecular weight
398.49
Exact mass
398.1413
XLogP
2.11
TPSA
94.37
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
104.13

Supplementary Information

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