Name: 3-[4-[2-(1-Pyrrolidinyl)ethoxy]benzyl]-2-(4-aminophenyl)benzo[b]thiophene
SMILES:
Nc1ccc(-c2sc3ccccc3c2Cc2ccc(OCCN3CCCC3)cc2)cc1Molecular Processing
Molecular formula
C27H28N2OS
Molecular weight
428.6
Exact mass
428.1922
XLogP
6.22
TPSA
38.49
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
132.09
Supplementary Information
Details werden geladen…
An 5 Reaktionen beteiligt→