SMILES:
O=C1C(=O)c2ccccc2C2=C1SCC1(CCN(C(=O)c3nc4ccccc4[nH]3)CC1)O2Molecular Processing
Molecular formula
C24H19N3O4S
Molecular weight
445.5
Exact mass
445.1096
XLogP
3.44
TPSA
92.36
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
32
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
120.2
Supplementary Information
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