Name: N-[2-Cyano-3-(1,4-dihydro-1-phenyl-indeno[1,2-c]pyrazol-3-yl) -3-oxo-propanoyl]-glycine, methyl ester
SMILES:
COC(=O)CNC(=O)C(C#N)C(=O)c1nn(-c2ccccc2)c2c1Cc1ccccc1-2Molecular Processing
Molecular formula
C23H18N4O4
Molecular weight
414.42
Exact mass
414.1328
XLogP
2.06
TPSA
114.08
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
110.27
Supplementary Information
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