(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one

C135H115F6N31O19S5 — CID 158576335

IUPAC(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one
SMILESCOc1cc(/C=C2\OCCN3C2=NS(=O)(=O)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCCN3C2=NS(=O)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCCn3c2nc(=O)n3-c2ccc(F)cc2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\OCCN4C3=NS(=O)(=O)N4c3ccc(F)cc3)c3c2OCO3)cn1.Cc1cn(-c2ccc(/C=C3\OCCN4C3=NS(=O)N4c3ccc(F)cc3)c3cnsc23)cn1.Cc1cn(-c2ccc(/C=C3\OCCn4c3nc(=O)n4-c3ccc(F)cc3)c3c2CC3)cn1
InChIInChI=1S/C24H20FN5O2.C23H20FN5O3.C22H17FN6O2S2.C22H18FN5O5S.C22H20FN5O4S.C22H20FN5O3S/c1-15-13-28(14-26-15)21-9-2-16(19-7-8-20(19)21)12-22-23-27-24(31)30(29(23)10-11-32-22)18-5-3-17(25)4-6-18;1-15-13-27(14-25-15)19-8-3-16(11-20(19)31-2)12-21-22-26-23(30)29(28(22)9-10-32-21)18-6-4-17(24)5-7-18;1-14-12-27(13-24-14)19-7-2-15(18-11-25-32-21(18)19)10-20-22-26-33(30)29(28(22)8-9-31-20)17-5-3-16(23)4-6-17;1-14-11-26(12-24-14)18-7-2-15(20-21(18)33-13-32-20)10-19-22-25-34(29,30)28(27(22)8-9-31-19)17-5-3-16(23)4-6-17;1-15-13-26(14-24-15)19-8-3-16(11-20(19)31-2)12-21-22-25-33(29,30)28(27(22)9-10-32-21)18-6-4-17(23)5-7-18;1-15-13-26(14-24-15)19-8-3-16(11-20(19)30-2)12-21-22-25-32(29)28(27(22)9-10-31-21)18-6-4-17(23)5-7-18/h2-6,9,12-14H,7-8,10-11H2,1H3;3-8,11-14H,9-10H2,1-2H3;2-7,10-13H,8-9H2,1H3;2-7,10-12H,8-9,13H2,1H3;3-8,11-14H,9-10H2,1-2H3;3-8,11-14H,9-10H2,1-2H3/b22-12-;21-12-;20-10-;19-10-;2*21-12-
InChIKeyHSRYKELKRKPXSS-VHELNGLXSA-N
MW2749.93 g/mol
LogP19.81
Rot. Bonds21

About (8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one

(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one (PubChem CID 158576335) has the molecular formula C135H115F6N31O19S5 and a molecular weight of 2749.93 g/mol. Its IUPAC name is (8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one.

Molecular Properties

Compound Name(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one
PubChem CID158576335
Molecular FormulaC135H115F6N31O19S5
Molecular Weight2749.93 g/mol
Exact Mass2747.75
IUPAC Name(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one
SMILESCOc1cc(/C=C2\OCCN3C2=NS(=O)(=O)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCCN3C2=NS(=O)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCCn3c2nc(=O)n3-c2ccc(F)cc2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\OCCN4C3=NS(=O)(=O)N4c3ccc(F)cc3)c3c2OCO3)cn1.Cc1cn(-c2ccc(/C=C3\OCCN4C3=NS(=O)N4c3ccc(F)cc3)c3cnsc23)cn1.Cc1cn(-c2ccc(/C=C3\OCCn4c3nc(=O)n4-c3ccc(F)cc3)c3c2CC3)cn1
InChIInChI=1S/C24H20FN5O2.C23H20FN5O3.C22H17FN6O2S2.C22H18FN5O5S.C22H20FN5O4S.C22H20FN5O3S/c1-15-13-28(14-26-15)21-9-2-16(19-7-8-20(19)21)12-22-23-27-24(31)30(29(23)10-11-32-22)18-5-3-17(25)4-6-18;1-15-13-27(14-25-15)19-8-3-16(11-20(19)31-2)12-21-22-26-23(30)29(28(22)9-10-32-21)18-6-4-17(24)5-7-18;1-14-12-27(13-24-14)19-7-2-15(18-11-25-32-21(18)19)10-20-22-26-33(30)29(28(22)8-9-31-20)17-5-3-16(23)4-6-17;1-14-11-26(12-24-14)18-7-2-15(20-21(18)33-13-32-20)10-19-22-25-34(29,30)28(27(22)8-9-31-19)17-5-3-16(23)4-6-17;1-15-13-26(14-24-15)19-8-3-16(11-20(19)31-2)12-21-22-25-33(29,30)28(27(22)9-10-32-21)18-6-4-17(23)5-7-18;1-15-13-26(14-24-15)19-8-3-16(11-20(19)30-2)12-21-22-25-32(29)28(27(22)9-10-31-21)18-6-4-17(23)5-7-18/h2-6,9,12-14H,7-8,10-11H2,1H3;3-8,11-14H,9-10H2,1-2H3;2-7,10-13H,8-9H2,1H3;2-7,10-12H,8-9,13H2,1H3;3-8,11-14H,9-10H2,1-2H3;3-8,11-14H,9-10H2,1-2H3/b22-12-;21-12-;20-10-;19-10-;2*21-12-
InChIKeyHSRYKELKRKPXSS-VHELNGLXSA-N
XLogP19.81
TPSA478.76 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds21
Heavy Atoms196
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002749.93
LogP ≤ 519.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze (8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one?
The IUPAC name of (8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one (CID 158576335) is (8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one.
What is the SMILES notation for (8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one?
The canonical SMILES for (8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one is COc1cc(/C=C2\OCCN3C2=NS(=O)(=O)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCCN3C2=NS(=O)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCCn3c2nc(=O)n3-c2ccc(F)cc2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\OCCN4C3=NS(=O)(=O)N4c3ccc(F)cc3)c3c2OCO3)cn1.Cc1cn(-c2ccc(/C=C3\OCCN4C3=NS(=O)N4c3ccc(F)cc3)c3cnsc23)cn1.Cc1cn(-c2ccc(/C=C3\OCCn4c3nc(=O)n4-c3ccc(F)cc3)c3c2CC3)cn1.
What is the InChIKey of (8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one?
The InChIKey is HSRYKELKRKPXSS-VHELNGLXSA-N. The full InChI is InChI=1S/C24H20FN5O2.C23H20FN5O3.C22H17FN6O2S2.C22H18FN5O5S.C22H20FN5O4S.C22H20FN5O3S/c1-15-13-28(14-26-15)21-9-2-16(19-7-8-20(19)21)12-22-23-27-24(31)30(29(23)10-11-32-22)18-5-3-17(25)4-6-18;1-15-13-27(14-25-15)19-8-3-16(11-20(19)31-2)12-21-22-26-23(30)29(28(22)9-10-32-21)18-6-4-17(24)5-7-18;1-14-12-27(13-24-14)19-7-2-15(18-11-25-32-21(18)19)10-20-22-26-33(30)29(28(22)8-9-31-20)17-5-3-16(23)4-6-17;1-14-11-26(12-24-14)18-7-2-15(20-21(18)33-13-32-20)10-19-22-25-34(29,30)28(27(22)8-9-31-19)17-5-3-16(23)4-6-17;1-15-13-26(14-24-15)19-8-3-16(11-20(19)31-2)12-21-22-25-33(29,30)28(27(22)9-10-32-21)18-6-4-17(23)5-7-18;1-15-13-26(14-24-15)19-8-3-16(11-20(19)30-2)12-21-22-25-32(29)28(27(22)9-10-31-21)18-6-4-17(23)5-7-18/h2-6,9,12-14H,7-8,10-11H2,1H3;3-8,11-14H,9-10H2,1-2H3;2-7,10-13H,8-9H2,1H3;2-7,10-12H,8-9,13H2,1H3;3-8,11-14H,9-10H2,1-2H3;3-8,11-14H,9-10H2,1-2H3/b22-12-;21-12-;20-10-;19-10-;2*21-12-.
What are the key properties of (8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one?
(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one has a molecular weight of 2749.93 g/mol, XLogP of 19.81, 21 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one is sourced from PubChem (CID 158576335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).