Ethyl 5-[(Diphenylmethylene)amino]-2-pyrimidinecarboxylate - CAS 1434128-44-5
Catalog: |
BB009579 |
Product Name: |
Ethyl 5-[(Diphenylmethylene)amino]-2-pyrimidinecarboxylate |
CAS: |
1434128-44-5 |
Synonyms: |
5-[(diphenylmethylene)amino]-2-pyrimidinecarboxylic acid ethyl ester; ethyl 5-(benzhydrylideneamino)pyrimidine-2-carboxylate |
IUPAC Name: | ethyl 5-(benzhydrylideneamino)pyrimidine-2-carboxylate |
Description: | Ethyl 5-[(Diphenylmethylene)amino]-2-pyrimidinecarboxylate (CAS# 1434128-44-5 ) is a useful research chemical. |
Molecular Weight: | 331.37 |
Molecular Formula: | C20H17N3O2 |
Canonical SMILES: | CCOC(=O)C1=NC=C(C=N1)N=C(C2=CC=CC=C2)C3=CC=CC=C3 |
InChI: | InChI=1S/C20H17N3O2/c1-2-25-20(24)19-21-13-17(14-22-19)23-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,2H2,1H3 |
InChI Key: | PUQRUXYHVPWKHN-UHFFFAOYSA-N |
LogP: | 3.82240 |
Complexity: | 426 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 331.132076794 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 331.132076794 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 64.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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