(9Z)-4-(4-fluorophenyl)-9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenoxy]-λ6-sulfane;trimethyl-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane

C123H114F12N30O10S3Si — CID 157245466

IUPAC(9Z)-4-(4-fluorophenyl)-9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenoxy]-λ6-sulfane;trimethyl-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane
SMILESCc1cn(-c2ccc(/C=C3\OCCN4C3=NCCN4c3ccc(F)cc3)c3cnoc23)cn1.Cc1cn(-c2ccc(/C=C3\OCCN4C3=NCCN4c3ccc(F)cc3)c3ocnc23)cn1.Cc1cn(-c2ccc(/C=C3\OCCN4C3=NCCN4c3ccc(OS(F)(F)(F)(F)F)cc3)c3cnoc23)cn1.Cc1cn(-c2ccc(/C=C3\OCCN4C3=NCCN4c3ccc(S(F)(F)(F)(F)F)cc3)c3cnsc23)cn1.Cc1cn(-c2ccc(/C=C3\OCCN4C3=NCCN4c3ccc([Si](C)(C)C)cc3)c3cnoc23)cn1
InChIInChI=1S/C27H30N6O2Si.C24H21F5N6O3S.C24H21F5N6OS2.2C24H21FN6O2/c1-19-17-31(18-29-19)24-10-5-20(23-16-30-35-26(23)24)15-25-27-28-11-12-32(33(27)13-14-34-25)21-6-8-22(9-7-21)36(2,3)4;1-16-14-33(15-31-16)21-7-2-17(20-13-32-37-23(20)21)12-22-24-30-8-9-34(35(24)10-11-36-22)18-3-5-19(6-4-18)38-39(25,26,27,28)29;1-16-14-33(15-31-16)21-7-2-17(20-13-32-37-23(20)21)12-22-24-30-8-9-34(35(24)10-11-36-22)18-3-5-19(6-4-18)38(25,26,27,28)29;1-16-14-29(15-27-16)21-7-2-17(20-13-28-33-23(20)21)12-22-24-26-8-9-30(31(24)10-11-32-22)19-5-3-18(25)4-6-19;1-16-13-29(14-27-16)20-7-2-17(23-22(20)28-15-33-23)12-21-24-26-8-9-30(31(24)10-11-32-21)19-5-3-18(25)4-6-19/h5-10,15-18H,11-14H2,1-4H3;2-7,12-15H,8-11H2,1H3;2-7,12-15H,8-11H2,1H3;2*2-7,12-15H,8-11H2,1H3/b25-15-;3*22-12-;21-12-
InChIKeyAVRZJKROHGVSLC-SROVWFRDSA-N
MW2524.73 g/mol
LogP25.69
Rot. Bonds19

About (9Z)-4-(4-fluorophenyl)-9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenoxy]-λ6-sulfane;trimethyl-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane

(9Z)-4-(4-fluorophenyl)-9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenoxy]-λ6-sulfane;trimethyl-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane (PubChem CID 157245466) has the molecular formula C123H114F12N30O10S3Si and a molecular weight of 2524.73 g/mol. Its IUPAC name is (9Z)-4-(4-fluorophenyl)-9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenoxy]-λ6-sulfane;trimethyl-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane.

Molecular Properties

Compound Name(9Z)-4-(4-fluorophenyl)-9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenoxy]-λ6-sulfane;trimethyl-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane
PubChem CID157245466
Molecular FormulaC123H114F12N30O10S3Si
Molecular Weight2524.73 g/mol
Exact Mass2522.81
IUPAC Name(9Z)-4-(4-fluorophenyl)-9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenoxy]-λ6-sulfane;trimethyl-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane
SMILESCc1cn(-c2ccc(/C=C3\OCCN4C3=NCCN4c3ccc(F)cc3)c3cnoc23)cn1.Cc1cn(-c2ccc(/C=C3\OCCN4C3=NCCN4c3ccc(F)cc3)c3ocnc23)cn1.Cc1cn(-c2ccc(/C=C3\OCCN4C3=NCCN4c3ccc(OS(F)(F)(F)(F)F)cc3)c3cnoc23)cn1.Cc1cn(-c2ccc(/C=C3\OCCN4C3=NCCN4c3ccc(S(F)(F)(F)(F)F)cc3)c3cnsc23)cn1.Cc1cn(-c2ccc(/C=C3\OCCN4C3=NCCN4c3ccc([Si](C)(C)C)cc3)c3cnoc23)cn1
InChIInChI=1S/C27H30N6O2Si.C24H21F5N6O3S.C24H21F5N6OS2.2C24H21FN6O2/c1-19-17-31(18-29-19)24-10-5-20(23-16-30-35-26(23)24)15-25-27-28-11-12-32(33(27)13-14-34-25)21-6-8-22(9-7-21)36(2,3)4;1-16-14-33(15-31-16)21-7-2-17(20-13-32-37-23(20)21)12-22-24-30-8-9-34(35(24)10-11-36-22)18-3-5-19(6-4-18)38-39(25,26,27,28)29;1-16-14-33(15-31-16)21-7-2-17(20-13-32-37-23(20)21)12-22-24-30-8-9-34(35(24)10-11-36-22)18-3-5-19(6-4-18)38(25,26,27,28)29;1-16-14-29(15-27-16)21-7-2-17(20-13-28-33-23(20)21)12-22-24-26-8-9-30(31(24)10-11-32-22)19-5-3-18(25)4-6-19;1-16-13-29(14-27-16)20-7-2-17(23-22(20)28-15-33-23)12-21-24-26-8-9-30(31(24)10-11-32-21)19-5-3-18(25)4-6-19/h5-10,15-18H,11-14H2,1-4H3;2-7,12-15H,8-11H2,1H3;2-7,12-15H,8-11H2,1H3;2*2-7,12-15H,8-11H2,1H3/b25-15-;3*22-12-;21-12-
InChIKeyAVRZJKROHGVSLC-SROVWFRDSA-N
XLogP25.69
TPSA355.69 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds19
Heavy Atoms179
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002524.73
LogP ≤ 525.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (9Z)-4-(4-fluorophenyl)-9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenoxy]-λ6-sulfane;trimethyl-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (9Z)-4-(4-fluorophenyl)-9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenoxy]-λ6-sulfane;trimethyl-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane?
The IUPAC name of (9Z)-4-(4-fluorophenyl)-9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenoxy]-λ6-sulfane;trimethyl-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane (CID 157245466) is (9Z)-4-(4-fluorophenyl)-9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenoxy]-λ6-sulfane;trimethyl-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane.
What is the SMILES notation for (9Z)-4-(4-fluorophenyl)-9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenoxy]-λ6-sulfane;trimethyl-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane?
The canonical SMILES for (9Z)-4-(4-fluorophenyl)-9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenoxy]-λ6-sulfane;trimethyl-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane is Cc1cn(-c2ccc(/C=C3\OCCN4C3=NCCN4c3ccc(F)cc3)c3cnoc23)cn1.Cc1cn(-c2ccc(/C=C3\OCCN4C3=NCCN4c3ccc(F)cc3)c3ocnc23)cn1.Cc1cn(-c2ccc(/C=C3\OCCN4C3=NCCN4c3ccc(OS(F)(F)(F)(F)F)cc3)c3cnoc23)cn1.Cc1cn(-c2ccc(/C=C3\OCCN4C3=NCCN4c3ccc(S(F)(F)(F)(F)F)cc3)c3cnsc23)cn1.Cc1cn(-c2ccc(/C=C3\OCCN4C3=NCCN4c3ccc([Si](C)(C)C)cc3)c3cnoc23)cn1.
What is the InChIKey of (9Z)-4-(4-fluorophenyl)-9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenoxy]-λ6-sulfane;trimethyl-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane?
The InChIKey is AVRZJKROHGVSLC-SROVWFRDSA-N. The full InChI is InChI=1S/C27H30N6O2Si.C24H21F5N6O3S.C24H21F5N6OS2.2C24H21FN6O2/c1-19-17-31(18-29-19)24-10-5-20(23-16-30-35-26(23)24)15-25-27-28-11-12-32(33(27)13-14-34-25)21-6-8-22(9-7-21)36(2,3)4;1-16-14-33(15-31-16)21-7-2-17(20-13-32-37-23(20)21)12-22-24-30-8-9-34(35(24)10-11-36-22)18-3-5-19(6-4-18)38-39(25,26,27,28)29;1-16-14-33(15-31-16)21-7-2-17(20-13-32-37-23(20)21)12-22-24-30-8-9-34(35(24)10-11-36-22)18-3-5-19(6-4-18)38(25,26,27,28)29;1-16-14-29(15-27-16)21-7-2-17(20-13-28-33-23(20)21)12-22-24-26-8-9-30(31(24)10-11-32-22)19-5-3-18(25)4-6-19;1-16-13-29(14-27-16)20-7-2-17(23-22(20)28-15-33-23)12-21-24-26-8-9-30(31(24)10-11-32-21)19-5-3-18(25)4-6-19/h5-10,15-18H,11-14H2,1-4H3;2-7,12-15H,8-11H2,1H3;2-7,12-15H,8-11H2,1H3;2*2-7,12-15H,8-11H2,1H3/b25-15-;3*22-12-;21-12-.
What are the key properties of (9Z)-4-(4-fluorophenyl)-9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenoxy]-λ6-sulfane;trimethyl-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane?
(9Z)-4-(4-fluorophenyl)-9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenoxy]-λ6-sulfane;trimethyl-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane has a molecular weight of 2524.73 g/mol, XLogP of 25.69, 19 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-4-(4-fluorophenyl)-9-[[4-(4-methylimidazol-1-yl)-1,3-benzoxazol-7-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenoxy]-λ6-sulfane;trimethyl-[4-[(9Z)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazin-4-yl]phenyl]silane is sourced from PubChem (CID 157245466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).