SMILES:
CN1C2CCCC1CC(NC(=O)c1cccc3oc(-c4sccc4Cl)nc13)C2Molecular Processing
Molecular formula
C21H22ClN3O2S
Molecular weight
415.95
Exact mass
415.1121
XLogP
4.95
TPSA
58.37
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
112.01
Supplementary Information
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