(4-chloro-3-nitro-phenyl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone

CovInDB Inhibitor

CI006676

Name

(4-chloro-3-nitro-phenyl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone

Molecular Formula

C₁₉H₂₀ClN₃O₃

Molecular Weight

373.1193192 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

(4-chloro-3-nitro-phenyl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone

InChI

InChI=1S/C19H20ClN3O3/c1-13-3-4-14(2)17(11-13)21-7-9-22(10-8-21)19(24)15-5-6-16(20)18(12-15)23(25)26/h3-6,11-12H,7-10H2,1-2H3

InChI Key

HMHQJYLDHKIGBL-UHFFFAOYSA-N

Canonical SMILES

Cc1ccc(C)c(N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)c1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

373.1193192 g/mol

Computed by RDKit

logP

4.098

Computed by ALOGPS

logS

-5.656

Computed by ALOGPS

Heavy Atom Count

26

Computed by RDKit

Ring Count

3

Computed by RDKit

Hydrogen Bond Acceptor Count

4

Computed by RDKit

Hydrogen Bond Donor Count

0

Computed by RDKit

Rotatable Bond Count

3

Computed by RDKit

Topological Polar Surface Area

66.69 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.