A1ATF

2-[3-fluoro-4-({(7P)-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl}amino)phenyl]acetamide

Created:2024-05-29
Last modified:  2025-01-22

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Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count0
Bond Count56
Aromatic Bond Count22
2D diagram of A1ATF

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Chemical Component Summary

Name2-[3-fluoro-4-({(7P)-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl}amino)phenyl]acetamide
Systematic Name (OpenEye OEToolkits)2-[3-fluoranyl-4-[[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]amino]phenyl]ethanamide
FormulaC23 H21 F N4 O3 S
Molecular Weight452.501
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NC(=O)Cc1ccc(Nc2nnc(c3sccc32)c2ccccc2OCCOC)c(F)c1
SMILESCACTVS3.385COCCOc1ccccc1c2nnc(Nc3ccc(CC(N)=O)cc3F)c4ccsc24
SMILESOpenEye OEToolkits2.0.7COCCOc1ccccc1c2c3c(ccs3)c(nn2)Nc4ccc(cc4F)CC(=O)N
Canonical SMILESCACTVS3.385 COCCOc1ccccc1c2nnc(Nc3ccc(CC(N)=O)cc3F)c4ccsc24
Canonical SMILESOpenEye OEToolkits2.0.7 COCCOc1ccccc1c2c3c(ccs3)c(nn2)Nc4ccc(cc4F)CC(=O)N
InChIInChI1.06 InChI=1S/C23H21FN4O3S/c1-30-9-10-31-19-5-3-2-4-15(19)21-22-16(8-11-32-22)23(28-27-21)26-18-7-6-14(12-17(18)24)13-20(25)29/h2-8,11-12H,9-10,13H2,1H3,(H2,25,29)(H,26,28)
InChIKeyInChI1.06 GWLCNGUGZNFYHI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 138454789
ChEMBL CHEMBL4588796