Name: (R)-2-(4-cyano-3-(3-methylisothiazol-5-ylamino)phenylamino)-3-(thiophen-2-yl)propanamide
SMILES:
Cc1cc(Nc2cc(N[C@H](Cc3cccs3)C(N)=O)ccc2C#N)sn1Molecular Processing
Molecular formula
C18H17N5OS2
Molecular weight
383.5
Exact mass
383.0875
XLogP
3.64
TPSA
103.83
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
105.92
Supplementary Information
Details werden geladen…
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