이름: 1-Benzyl-1-(cyanoacetyl)-3-[3-(methylthio)phenyl]urea
SMILES:
CSc1cccc(NC(=O)N(Cc2ccccc2)C(=O)CC#N)c1Molecular Processing
Molecular formula
C18H17N3O2S
Molecular weight
339.42
Exact mass
339.1041
XLogP
3.88
TPSA
73.2
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
94.46
Supplementary Information
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