SMILES:
COc1ccc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1Molecular Processing
Molecular formula
C20H21N5O2S
Molecular weight
395.49
Exact mass
395.1416
XLogP
3.57
TPSA
70.59
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
111.14
Supplementary Information
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