Name: diethyl 2-(5H-dibenzo[a,d]cyclohepten-5-yl)-2-acetamidomalonate
SMILES:
CCOC(=O)C(NC(C)=O)(C(=O)OCC)C1c2ccccc2C=Cc2ccccc21Molecular Processing
Molecular formula
C24H25NO5
Molecular weight
407.47
Exact mass
407.1733
XLogP
3.3
TPSA
81.7
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
113.47
Supplementary Information
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