Название: compound
SMILES:
CC1C(=O)N(S)c2ccc(CN3N=C(c4ccc(Cl)cc4)COC3=O)cc21Molecular Processing
Molecular formula
C19H16ClN3O3S
Molecular weight
401.88
Exact mass
401.0601
XLogP
3.99
TPSA
62.21
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
106.21
Supplementary Information
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