CC1(C)CC(c2cccc(N3CCOCC3)c2)Nc2c(C(=O)NS(=O)(=O)C3CC3)cc(Cl)cc21
SMILES: CC1(C)CC(c2cccc(N3CCOCC3)c2)Nc2c(C(=O)NS(=O)(=O)C3CC3)cc(Cl)cc21

Molecular Processing

Molecular formula
C25H30ClN3O4S
Molecular weight
504.05
Exact mass
503.1646
XLogP
4.23
TPSA
87.74
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
34
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
134.34

Supplementary Information

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