Nombre: Dimethyl 2,5-bis{(4-chlorophenyl)amino}cyclohexa-1,4-diene-1,4-dicarboxylate
SMILES:
COC(=O)C1=C(Nc2ccc(Cl)cc2)CC(C(=O)OC)=C(Nc2ccc(Cl)cc2)C1Molecular Processing
Molecular formula
C22H20Cl2N2O4
Molecular weight
447.32
Exact mass
446.08
XLogP
5.17
TPSA
76.66
H-bond donors
2
H-bond acceptors
6
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
8
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
117.47
Supplementary Information
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