Cc1nc2sccn2c1C(=O)NC[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)c1ccccc1-c1cccc(Cl)c1
SMILES: Cc1nc2sccn2c1C(=O)NC[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)c1ccccc1-c1cccc(Cl)c1

Molecular Processing

Molecular formula
C26H23ClN4O2S
Molecular weight
491.02
Exact mass
490.123
XLogP
5.06
TPSA
66.71
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
34
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
133.5

Supplementary Information

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