CC(C)CC(C(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1)C1OC(C)(C)OC1=O
SMILES: CC(C)CC(C(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1)C1OC(C)(C)OC1=O

Molecular Processing

Molecular formula
C23H30N4O4S
Molecular weight
458.58
Exact mass
458.1988
XLogP
3.19
TPSA
84.86
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.565
Molar refractivity
122.13

Supplementary Information

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