SMILES:
Cc1nc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)cs1Molecular Processing
Molecular formula
C21H18N2O3S
Molecular weight
378.45
Exact mass
378.1038
XLogP
4.52
TPSA
60.45
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
104.39
Supplementary Information
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