GXH

3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide

Created: 2018-10-16
Last modified:  2019-04-17

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Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count0
Bond Count73
Aromatic Bond Count29
2D diagram of GXH
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Chemical Component Summary

Name3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide
Systematic Name (OpenEye OEToolkits)3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide
FormulaC31 H28 F N5 O3 S
Molecular Weight569.649
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385COc1ccc(OC)c(CCC(=O)Nc2cc(ccn2)c3sc(NNc4ccccc4)nc3c5ccc(F)cc5)c1
SMILESOpenEye OEToolkits2.0.6COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3)NNc4ccccc4)c5ccc(cc5)F)OC
Canonical SMILESCACTVS3.385 COc1ccc(OC)c(CCC(=O)Nc2cc(ccn2)c3sc(NNc4ccccc4)nc3c5ccc(F)cc5)c1
Canonical SMILESOpenEye OEToolkits2.0.6 COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3)NNc4ccccc4)c5ccc(cc5)F)OC
InChIInChI1.03 InChI=1S/C31H28FN5O3S/c1-39-25-13-14-26(40-2)21(18-25)10-15-28(38)34-27-19-22(16-17-33-27)30-29(20-8-11-23(32)12-9-20)35-31(41-30)37-36-24-6-4-3-5-7-24/h3-9,11-14,16-19,36H,10,15H2,1-2H3,(H,35,37)(H,33,34,38)
InChIKeyInChI1.03 IREZAYNVTNYSLH-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 137796768