Name: 2-{4-[3-(8-chloro-dibenzo[b,f]thiepin-10-yl)-2-propynyl]-1-piperazinyl}-ethanol
SMILES:
OCCN1CCN(CC#CC2=Cc3ccccc3Sc3ccc(Cl)cc32)CC1Molecular Processing
Molecular formula
C23H23ClN2OS
Molecular weight
410.97
Exact mass
410.122
XLogP
3.96
TPSA
26.71
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
117.63
Supplementary Information
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