CC[C@@H]1C(=O)N(C)c2cnc(-n3cnc(-c4cscn4)c3)nc2N1C1CCCC1
SMILES: CC[C@@H]1C(=O)N(C)c2cnc(-n3cnc(-c4cscn4)c3)nc2N1C1CCCC1

Molecular Processing

Molecular formula
C20H23N7OS
Molecular weight
409.52
Exact mass
409.1685
XLogP
3.29
TPSA
80.04
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
112.49

Supplementary Information

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