SMILES:
COc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCN(C(=O)OCCO)C2Molecular Processing
Molecular formula
C21H23N3O5S
Molecular weight
429.5
Exact mass
429.1358
XLogP
2.69
TPSA
111.89
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
111.53
Supplementary Information
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