Name: 2-(methylthio)-5-(o-fluorophenyl)-7-chloro-3H-1,4-benzodiazepine
SMILES:
CSC1=Nc2ccc(Cl)cc2C(c2ccccc2F)=NC1Molecular Processing
Molecular formula
C16H12ClFN2S
Molecular weight
318.8
Exact mass
318.0394
XLogP
4.72
TPSA
24.72
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
88.97
Supplementary Information
Details werden geladen…
An 3 Reaktionen beteiligt→