SMILES:
COc1cc(N2CCSCC2)ccc1-c1nnc(-c2c(-c3ccccc3)noc2C)o1Molecular Processing
Molecular formula
C23H22N4O3S
Molecular weight
434.52
Exact mass
434.1413
XLogP
4.93
TPSA
77.42
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
121.49
Supplementary Information
Details werden geladen…
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