SMILES:
CCNC=C(C(=O)Nc1snc(C)c1Cl)c1ccc2oc(CC(C)(C)C)nc2c1Molecular Processing
Molecular formula
C21H25ClN4O2S
Molecular weight
432.98
Exact mass
432.1387
XLogP
5.42
TPSA
80.05
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
119.31
Supplementary Information
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