CC(C)(C)OC(=O)n1ccc2cc(-c3nc(NC(=O)Nc4cccc(CN5CCCCC5)n4)cs3)ccc21
SMILES: CC(C)(C)OC(=O)n1ccc2cc(-c3nc(NC(=O)Nc4cccc(CN5CCCCC5)n4)cs3)ccc21

Molecular Processing

Molecular formula
C28H32N6O3S
Molecular weight
532.67
Exact mass
532.2257
XLogP
6.57
TPSA
101.38
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
150.68

Supplementary Information

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