COc1nc(N2CCOCC2)nc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1-c1nc2cc(C)ccc2s1
SMILES: COc1nc(N2CCOCC2)nc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1-c1nc2cc(C)ccc2s1

Molecular Processing

Molecular formula
C27H36N6O4S
Molecular weight
540.69
Exact mass
540.2519
XLogP
4.72
TPSA
101.94
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
149.42

Supplementary Information

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