SMILES:
N#Cc1c(NC(=O)C(c2ccccc2)C2CCCC2)sc2c1CCC2Molecular Processing
Molecular formula
C21H22N2OS
Molecular weight
350.49
Exact mass
350.1453
XLogP
5.02
TPSA
52.89
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
100.83
Supplementary Information
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