SMILES:
CN(C)C(=O)OC(c1ccccc1)c1nc(-c2ccccc2)c(-c2nc3c(N)ncnc3s2)n1CMolecular Processing
Molecular formula
C25H23N7O2S
Molecular weight
485.57
Exact mass
485.1634
XLogP
4.52
TPSA
112.05
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
35
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.16
Molar refractivity
135.71
Supplementary Information
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