SMILES:
COc1ccc(SCCNC(=O)c2ccc(OC/C=C(\C)CCC=C(C)C)cc2)nc1Molecular Processing
Molecular formula
C25H32N2O3S
Molecular weight
440.61
Exact mass
440.2134
XLogP
5.68
TPSA
60.45
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
31
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
0.36
Molar refractivity
128.21
Supplementary Information
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