SMILES:
CC(C)N1CCN(c2nc3ccc(-c4noc(-c5ccccc5)n4)cc3s2)CC1Molecular Processing
Molecular formula
C22H23N5OS
Molecular weight
405.53
Exact mass
405.1623
XLogP
4.54
TPSA
58.29
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
29
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
117.27
Supplementary Information
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