N-[3-[[3-(4-phenoxyphenyl)-4-pyridyl]oxy]phenyl]prop-2-enamide

CovInDB Inhibitor

CI004775

Name

N-[3-[[3-(4-phenoxyphenyl)-4-pyridyl]oxy]phenyl]prop-2-enamide

Molecular Formula

C₂₆H₂₀N₂O₃

Molecular Weight

408.15 g/mol

Structure

  Warhead   Similar Compounds

  Download

SDF 2D SDF 3D

IUPAC Name

N-[3-[[3-(4-phenoxyphenyl)-4-pyridyl]oxy]phenyl]prop-2-enamide

InChI

InChI=1S/C26H20N2O3/c1-2-26(29)28-20-7-6-10-23(17-20)31-25-15-16-27-18-24(25)19-11-13-22(14-12-19)30-21-8-4-3-5-9-21/h2-18H,1H2,(H,28,29)

InChI Key

HYLBULRQABHFRC-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1cccc(Oc2ccncc2-c2ccc(Oc3ccccc3)cc2)c1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

408.15 g/mol

Computed by RDKit

logP

5.45

Computed by ALOGPS

logS

-5.95

Computed by ALOGPS

Heavy Atom Count

31

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

4

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

7

Computed by RDKit

Topological Polar Surface Area

60.45 Ų

Computed by RDKit

  Download

No similar natural compounds found for this inhibitor.