Name: 2-(7-chloroquinolin-2-yl)methoxy-11-(2-cyanoethylthio)-6,11-dihydrodibenz[b,e]oxepine
SMILES:
N#CCCSC1c2ccccc2COc2ccc(OCc3ccc4ccc(Cl)cc4n3)cc21Molecular Processing
Molecular formula
C27H21ClN2O2S
Molecular weight
473
Exact mass
472.1012
XLogP
7.1
TPSA
55.14
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.185
Molar refractivity
132.83
Supplementary Information
Details werden geladen…
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