Name: 2-[5-(acetylamino)-2-chlorophenyl]-5-n-butyl-2,4-dihydro-4-[(3-fluoro-5'-n-propyl-2'-sulfamoylbiphenyl-4-yl)methyl]-3H-1,2,4-triazol-3-one
SMILES:
CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(-c2cc(CCC)ccc2S(N)(=O)=O)cc1FMolecular Processing
Molecular formula
C30H33ClFN5O4S
Molecular weight
614.14
Exact mass
613.1926
XLogP
5.44
TPSA
129.08
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
42
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
162.06
Supplementary Information
Details werden geladen…
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