(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane];(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide

C139H137F5N22O9S7 — CID 157457555

About (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane];(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide

(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane];(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide (PubChem CID 157457555) has the molecular formula C139H137F5N22O9S7 and a molecular weight of 2579.23 g/mol. Its IUPAC name is (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane];(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide.

Molecular Properties

• Compound Name: (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane];(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide
• PubChem CID: 157457555
• Molecular Formula: C139H137F5N22O9S7
• Molecular Weight: 2579.23 g/mol
• Exact Mass: 2576.89
• IUPAC Name: (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane];(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide
• SMILES: COc1cc(/C=C2\CC3(CN4C2=NCCC4(C)c2ccc(F)cc2)CS(=O)C3)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CN4C2=NOC4(C)c2ccc(F)cc2)CS(=O)C3)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CN4C2=NOCC4c2ccc(F)cc2)CS(=O)C3)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\CC4(CN5C3=NCCC5c3ccc(F)cc3)CS(=O)C4)c3ncsc23)cn1.Cc1cn(-c2ccc(/C=C3\CC4(CSC4)CN4C3=NCCC4c3ccc(F)cc3)c3ncsc23)cn1
• InChI: InChI=1S/C29H31FN4O2S.C28H26FN5OS2.C28H26FN5S2.2C27H27FN4O3S/c1-20-15-33(19-32-20)25-9-4-21(13-26(25)36-3)12-22-14-29(17-37(35)18-29)16-34-27(22)31-11-10-28(34,2)23-5-7-24(30)8-6-23;1-18-12-33(16-31-18)24-7-4-20(25-26(24)36-17-32-25)10-21-11-28(14-37(35)15-28)13-34-23(8-9-30-27(21)34)19-2-5-22(29)6-3-19;1-18-12-33(16-31-18)24-7-4-20(25-26(24)36-17-32-25)10-21-11-28(14-35-15-28)13-34-23(8-9-30-27(21)34)19-2-5-22(29)6-3-19;1-18-13-31(17-29-18)23-9-4-19(11-24(23)34-3)10-20-12-27(15-36(33)16-27)14-32-25(20)30-35-26(32,2)21-5-7-22(28)8-6-21;1-18-12-31(17-29-18)23-8-3-19(10-25(23)34-2)9-21-11-27(15-36(33)16-27)14-32-24(13-35-30-26(21)32)20-4-6-22(28)7-5-20/h4-9,12-13,15,19H,10-11,14,16-18H2,1-3H3;2-7,10,12,16-17,23H,8-9,11,13-15H2,1H3;2-7,10,12,16-17,23H,8-9,11,13-15H2,1H3;4-11,13,17H,12,14-16H2,1-3H3;3-10,12,17,24H,11,13-16H2,1-2H3/b22-12+;2*21-10+;20-10+;21-9+
• InChIKey: BTNRKGAHUKICHG-ZGCOVGTQSA-N
• XLogP: 25.12
• TPSA: 307.31 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 18
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2579.23
LogP ≤ 5	25.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane];(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide?

The IUPAC name of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane];(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide (CID 157457555) is (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane];(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide.

What is the SMILES notation for (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane];(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide?

The canonical SMILES for (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane];(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide is COc1cc(/C=C2\CC3(CN4C2=NCCC4(C)c2ccc(F)cc2)CS(=O)C3)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CN4C2=NOC4(C)c2ccc(F)cc2)CS(=O)C3)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CN4C2=NOCC4c2ccc(F)cc2)CS(=O)C3)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\CC4(CN5C3=NCCC5c3ccc(F)cc3)CS(=O)C4)c3ncsc23)cn1.Cc1cn(-c2ccc(/C=C3\CC4(CSC4)CN4C3=NCCC4c3ccc(F)cc3)c3ncsc23)cn1.

What is the InChIKey of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane];(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide?

The InChIKey is BTNRKGAHUKICHG-ZGCOVGTQSA-N. The full InChI is InChI=1S/C29H31FN4O2S.C28H26FN5OS2.C28H26FN5S2.2C27H27FN4O3S/c1-20-15-33(19-32-20)25-9-4-21(13-26(25)36-3)12-22-14-29(17-37(35)18-29)16-34-27(22)31-11-10-28(34,2)23-5-7-24(30)8-6-23;1-18-12-33(16-31-18)24-7-4-20(25-26(24)36-17-32-25)10-21-11-28(14-37(35)15-28)13-34-23(8-9-30-27(21)34)19-2-5-22(29)6-3-19;1-18-12-33(16-31-18)24-7-4-20(25-26(24)36-17-32-25)10-21-11-28(14-35-15-28)13-34-23(8-9-30-27(21)34)19-2-5-22(29)6-3-19;1-18-13-31(17-29-18)23-9-4-19(11-24(23)34-3)10-20-12-27(15-36(33)16-27)14-32-25(20)30-35-26(32,2)21-5-7-22(28)8-6-21;1-18-12-31(17-29-18)23-8-3-19(10-25(23)34-2)9-21-11-27(15-36(33)16-27)14-32-24(13-35-30-26(21)32)20-4-6-22(28)7-5-20/h4-9,12-13,15,19H,10-11,14,16-18H2,1-3H3;2-7,10,12,16-17,23H,8-9,11,13-15H2,1H3;2-7,10,12,16-17,23H,8-9,11,13-15H2,1H3;4-11,13,17H,12,14-16H2,1-3H3;3-10,12,17,24H,11,13-16H2,1-2H3/b22-12+;2*21-10+;20-10+;21-9+.

What are the key properties of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane];(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide?

(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane];(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide has a molecular weight of 2579.23 g/mol, XLogP of 25.12, 18 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane] 1'-oxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane];(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzothiazol-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1'-oxide is sourced from PubChem (CID 157457555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).