Name: 6-(2-chlorophenyl)-3-methyl-2-(3-phenylpropyl)-4,5,6,7-tetrahydroindazol-4-one
SMILES:
Cc1c2c(nn1CCCc1ccccc1)CC(c1ccccc1Cl)CC2=OMolecular Processing
Molecular formula
C23H23ClN2O
Molecular weight
378.9
Exact mass
378.1499
XLogP
5.39
TPSA
34.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
108.57
Supplementary Information
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