SMILES:
CCC(C)CC(=O)NCc1ccc(C(=O)Nc2ccccc2N)s1Molecular Processing
Molecular formula
C18H23N3O2S
Molecular weight
345.47
Exact mass
345.1511
XLogP
3.64
TPSA
84.22
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
99.05
Supplementary Information
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