(4-chloro-3-nitro-phenyl)-[4-(m-tolyl)piperazin-1-yl]methanone

CovInDB Inhibitor

CI006675

Name

(4-chloro-3-nitro-phenyl)-[4-(m-tolyl)piperazin-1-yl]methanone

Molecular Formula

C₁₈H₁₈ClN₃O₃

Molecular Weight

359.1036691 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

(4-chloro-3-nitro-phenyl)-[4-(m-tolyl)piperazin-1-yl]methanone

InChI

InChI=1S/C18H18ClN3O3/c1-13-3-2-4-15(11-13)20-7-9-21(10-8-20)18(23)14-5-6-16(19)17(12-14)22(24)25/h2-6,11-12H,7-10H2,1H3

InChI Key

PIJKXMDMAXCNKW-UHFFFAOYSA-N

Canonical SMILES

Cc1cccc(N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)c1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

359.1036691 g/mol

Computed by RDKit

logP

3.629

Computed by ALOGPS

logS

-5.143

Computed by ALOGPS

Heavy Atom Count

25

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.