COc1ccc(Cl)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1CC1CCOCC1
SMILES: COc1ccc(Cl)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1CC1CCOCC1

Molecular Processing

Molecular formula
C21H27ClN2O3S
Molecular weight
422.98
Exact mass
422.1431
XLogP
4.68
TPSA
52.82
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
112.45

Supplementary Information

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