CN[C@H]1CCN(c2c(-c3csc(C)n3)c(C)c(C#N)c3nc(C4CC4)oc23)C1
SMILES: CN[C@H]1CCN(c2c(-c3csc(C)n3)c(C)c(C#N)c3nc(C4CC4)oc23)C1

Molecular Processing

Molecular formula
C21H23N5OS
Molecular weight
393.52
Exact mass
393.1623
XLogP
4.12
TPSA
77.98
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
28
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
110.96

Supplementary Information

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