SMILES:
COc1ccc2c3c(sc2c1)Nc1ccccc1N=C3N1CCN(C)CC1Molecular Processing
Molecular formula
C21H22N4OS
Molecular weight
378.5
Exact mass
378.1514
XLogP
4.29
TPSA
40.1
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
27
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
113.37
Supplementary Information
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