SMILES:
O=C1CN(c2cc(-n3ccccc3=O)ccc2-n2cnc(CNC(=O)c3ccc(Cl)s3)c2)CCN1Molecular Processing
Molecular formula
C24H21ClN6O3S
Molecular weight
508.99
Exact mass
508.1084
XLogP
2.6
TPSA
101.26
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
134.88
Supplementary Information
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