SMILES:
CCSc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2Molecular Processing
Molecular formula
C16H16ClN3OS
Molecular weight
333.84
Exact mass
333.0703
XLogP
4.44
TPSA
45.23
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
92.16
Supplementary Information
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