Name: methyl 2-[2-[4-(perhydropyridazin-1-ylthiocarbonylamino)-3-fluorophenoxymethyl]-5-methylphenoxy]propionate
SMILES:
COC(=O)C(C)Oc1cc(C)ccc1COc1ccc(NC(=S)N2CCCCN2)c(F)c1Molecular Processing
Molecular formula
C23H28FN3O4S
Molecular weight
461.56
Exact mass
461.1785
XLogP
3.95
TPSA
72.06
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
124.18
Supplementary Information
Details werden geladen…
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