COc1cc(NC(=O)c2ccccc2C)ccc1C(=O)N1CCCC(OC(=O)C(CCSC)NC(=O)OC(C)(C)C)c2cc(Cl)ccc21
SMILES: COc1cc(NC(=O)c2ccccc2C)ccc1C(=O)N1CCCC(OC(=O)C(CCSC)NC(=O)OC(C)(C)C)c2cc(Cl)ccc21

Molecular Processing

Molecular formula
C36H42ClN3O7S
Molecular weight
696.27
Exact mass
695.2432
XLogP
7.58
TPSA
123.27
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
48
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
189.48

Supplementary Information

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