Cc1nc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1
SMILES: Cc1nc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1

Molecular Processing

Molecular formula
C25H30N8O5S
Molecular weight
554.63
Exact mass
554.206
XLogP
4.05
TPSA
155.72
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
147.13

Supplementary Information

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