CCOc1ccc(-c2ccc(C)nc2)cc1CN(C(=O)c1sc2ccccc2c1Cl)C1CCC(N(C)C(=O)OC(C)(C)C)CC1
SMILES: CCOc1ccc(-c2ccc(C)nc2)cc1CN(C(=O)c1sc2ccccc2c1Cl)C1CCC(N(C)C(=O)OC(C)(C)C)CC1

Molecular Processing

Molecular formula
C36H42ClN3O4S
Molecular weight
648.27
Exact mass
647.2585
XLogP
9.14
TPSA
71.97
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
45
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
182.33

Supplementary Information

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