O=C1CC(=O)N(c2ccc3[nH]cnc3c2)C1c1ccc(N2CCSCC2)cc1
SMILES: O=C1CC(=O)N(c2ccc3[nH]cnc3c2)C1c1ccc(N2CCSCC2)cc1

Molecular Processing

Molecular formula
C21H20N4O2S
Molecular weight
392.48
Exact mass
392.1307
XLogP
3.16
TPSA
69.3
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
111.92

Supplementary Information

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