N,N'-Bis(4-ethoxycarbonylphenyl)-N-benzylformamidine

C₂₆H₂₆N₂O₄CAS 586400-06-8430.50 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₆H₂₆N₂O₄
Molar mass: 430.50 g/mol
Exact mass: 430.1893 Da
logP: 5.41Crippen estimate
Polar surface area: 68.2 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 9

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

586400-06-8

SMILES

CCOC(=O)C1=CC=C(C=C1)N=CN(CC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OCC

InChIKey

WHRPFDOAMQIPQF-UHFFFAOYSA-N

InChI

InChI=1S/C26H26N2O4/c1-3-31-25(29)21-10-14-23(15-11-21)27-19-28(18-20-8-6-5-7-9-20)24-16-12-22(13-17-24)26(30)32-4-2/h5-17,19H,3-4,18H2,1-2H3

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Names and synonyms

1 names

Ethyl 4-(((benzyl(4-(ethoxycarbonyl)phenyl)amino)methylene)amino)benzoate

Work with N,N'-Bis(4-ethoxycarbonylphenyl)-N-benzylformamidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 4-[[(ethylphenylamino)methylene]amino]benzoate65816-20-876 % similar N′-(4-Ethoxycarbonylphenyl)-N-methyl-N-phenylformamidine57834-33-067 % similar Ethyl 4-(dimethylamino)benzoate10287-53-352 % similar Ethyl benzoate93-89-051 % similar Ethyl 4-(phenylmethoxy)benzoate56441-55-550 % similar Ethyl 4-(diethylamino)benzoate10287-54-448 % similar Diethyl terephthalate636-09-948 % similar Ethyl 4-chloromethylbenzoate1201-90-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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