SMILES:
COc1ccc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1OCMolecular Processing
Molecular formula
C21H23N5O3S
Molecular weight
425.51
Exact mass
425.1522
XLogP
3.58
TPSA
79.82
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
117.7
Supplementary Information
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