Name: 3-[benzothiazol-2-yl(1-methylpiperidin-4-yloxy)methyl]benzoic acid ethyl ester
SMILES:
CCOC(=O)c1cccc(C(OC2CCN(C)CC2)c2nc3ccccc3s2)c1Molecular Processing
Molecular formula
C23H26N2O3S
Molecular weight
410.54
Exact mass
410.1664
XLogP
4.67
TPSA
51.66
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
115.47
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→