Nombre: 8-Fluoro-3-methoxy-12-(4-methylpiperazin-1-yl)-6H-[1]benzothieno[2,3-b][1,5]benzodiazepine
SMILES:
COc1ccc2c3c(sc2c1)Nc1cc(F)ccc1N=C3N1CCN(C)CC1Molecular Processing
Molecular formula
C21H21FN4OS
Molecular weight
396.49
Exact mass
396.142
XLogP
4.43
TPSA
40.1
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
28
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
113.33
Supplementary Information
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