CS(=O)(=O)O.Cc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
SMILES: CS(=O)(=O)O.Cc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O

Molecular Processing

Molecular formula
C30H36N4O5S
Molecular weight
564.71
Exact mass
564.2406
XLogP
4.02
TPSA
126.73
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
40
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.467
Molar refractivity
154.85

Supplementary Information

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