이름: (R)-2-(4-cyano-3-(3-methylisothiazol-5-ylamino)phenylamino)-3-cyclohexylpropanamide
SMILES:
Cc1cc(Nc2cc(N[C@H](CC3CCCCC3)C(N)=O)ccc2C#N)sn1Molecular Processing
Molecular formula
C20H25N5OS
Molecular weight
383.52
Exact mass
383.178
XLogP
4.3
TPSA
103.83
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
109.09
Supplementary Information
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