NC(=O)c1cc(-c2ccsc2)cc2c(C3CCNCC3)n[nH]c12
SMILES: NC(=O)c1cc(-c2ccsc2)cc2c(C3CCNCC3)n[nH]c12

Molecular Processing

Molecular formula
C17H18N4OS
Molecular weight
326.43
Exact mass
326.1201
XLogP
2.86
TPSA
83.8
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
92.77

Supplementary Information

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