CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cc(-c3ccc(Cl)cc3Cl)cc3c1N2CCS3
SMILES: CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cc(-c3ccc(Cl)cc3Cl)cc3c1N2CCS3

Molecular Processing

Molecular formula
C24H26Cl2N2O2S
Molecular weight
477.46
Exact mass
476.1092
XLogP
6.68
TPSA
32.78
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
31
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
128.92

Supplementary Information

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