N-[3-[5-(4-phenoxyphenyl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide

CovInDB Inhibitor

CI004773

Name

N-[3-[5-(4-phenoxyphenyl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide

Molecular Formula

C₂₅H₁₉N₃O₃

Molecular Weight

409.14 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

N-[3-[5-(4-phenoxyphenyl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide

InChI

InChI=1S/C25H19N3O3/c1-2-24(29)28-19-7-6-10-22(15-19)31-25-23(16-26-17-27-25)18-11-13-21(14-12-18)30-20-8-4-3-5-9-20/h2-17H,1H2,(H,28,29)

InChI Key

KNVOFUIOWQCKLJ-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1cccc(Oc2ncncc2-c2ccc(Oc3ccccc3)cc2)c1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

409.14 g/mol

Computed by RDKit

logP

4.63

Computed by ALOGPS

logS

-5.17

Computed by ALOGPS

Heavy Atom Count

31

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

5

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

7

Computed by RDKit

Topological Polar Surface Area

73.34 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.