Name: {3-[(benzothiazol-2-yl)(1-methylpiperidin-4-yloxy)-methyl]phenylsulfanyl}acetic acid methyl ester
SMILES:
COC(=O)CSc1cccc(C(OC2CCN(C)CC2)c2nc3ccccc3s2)c1Molecular Processing
Molecular formula
C23H26N2O3S2
Molecular weight
442.61
Exact mass
442.1385
XLogP
4.76
TPSA
51.66
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
122.25
Supplementary Information
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