SMILES:
CC1CCC(N(CCCc2coc3ccc(Cl)cc23)C(=O)Nc2ncc(SCC(=O)O)s2)CC1Molecular Processing
Molecular formula
C24H28ClN3O4S2
Molecular weight
522.09
Exact mass
521.121
XLogP
6.76
TPSA
95.67
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
137.16
Supplementary Information
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