SMILES:
CC(=O)Oc1ccc(Cn2nnnc2C2N3C(=O)C(NC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@H]3SC2(C)C)cc1Molecular Processing
Molecular formula
C36H34N6O3S
Molecular weight
630.77
Exact mass
630.2413
XLogP
5.33
TPSA
102.24
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
46
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
175.85
Supplementary Information
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