이름: {6-[4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethylsulfanyl]-3,4-dihydro-1H-isoquinolin-2-yl}-acetic acid methyl ester
SMILES:
COC(=O)CN1CCc2cc(SCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C)ccc2C1Molecular Processing
Molecular formula
C24H23F3N2O2S2
Molecular weight
492.59
Exact mass
492.1153
XLogP
5.96
TPSA
42.43
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
124.29
Supplementary Information
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