2-(Hydroxymethyl)-1,5-bis[(4-methoxybenzyl)oxy]pyridin-4(1H)-one - CAS 120404-76-4
Catalog: |
BB004858 |
Product Name: |
2-(Hydroxymethyl)-1,5-bis[(4-methoxybenzyl)oxy]pyridin-4(1H)-one |
CAS: |
120404-76-4 |
Synonyms: |
2-(hydroxymethyl)-1,5-bis[(4-methoxyphenyl)methoxy]-4-pyridinone; 2-(hydroxymethyl)-1,5-bis[(4-methoxyphenyl)methoxy]pyridin-4-one |
IUPAC Name: | 2-(hydroxymethyl)-1,5-bis[(4-methoxyphenyl)methoxy]pyridin-4-one |
Description: | 2-(Hydroxymethyl)-1,5-bis[(4-methoxybenzyl)oxy]pyridin-4(1H)-one (CAS# 120404-76-4 ) is a useful research chemical. |
Molecular Weight: | 397.42 |
Molecular Formula: | C22H23NO6 |
Canonical SMILES: | COC1=CC=C(C=C1)COC2=CN(C(=CC2=O)CO)OCC3=CC=C(C=C3)OC |
InChI: | InChI=1S/C22H23NO6/c1-26-19-7-3-16(4-8-19)14-28-22-12-23(18(13-24)11-21(22)25)29-15-17-5-9-20(27-2)10-6-17/h3-12,24H,13-15H2,1-2H3 |
InChI Key: | IPJWVNGXIGVLHV-UHFFFAOYSA-N |
LogP: | 2.56560 |
Publication Number | Title | Priority Date |
EP-2706062-A2 | Novel cephalosporin derivative and pharmaceutical composition thereof | 20110330 |
EP-2706062-B1 | Novel cephalosporin derivative and pharmaceutical composition thereof | 20110330 |
US-2012264727-A1 | Novel cephalosporin derivatives and pharmaceutical compositions thereof | 20110330 |
US-2013178455-A1 | Novel cephalosporin derivatives and pharmaceutical compositions thereof | 20110330 |
US-8329684-B2 | Cephalosporin derivatives and pharmaceutical compositions thereof | 20110330 |
Complexity: | 588 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 397.15253745 |
Formal Charge: | 0 |
Heavy Atom Count: | 29 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 397.15253745 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 77.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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