(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclopentane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane];methane;bis((4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane]);(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,4'-oxane]

C181H199F9N24O16 — CID 159023719

About (4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclopentane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane];methane;bis((4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane]);(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,4'-oxane]

(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclopentane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane];methane;bis((4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane]);(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,4'-oxane] (PubChem CID 159023719) has the molecular formula C181H199F9N24O16 and a molecular weight of 3137.72 g/mol. Its IUPAC name is (4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclopentane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane];methane;bis((4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane]);(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,4'-oxane].

Molecular Properties

• Compound Name: (4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclopentane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane];methane;bis((4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane]);(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,4'-oxane]
• PubChem CID: 159023719
• Molecular Formula: C181H199F9N24O16
• Molecular Weight: 3137.72 g/mol
• Exact Mass: 3135.54
• IUPAC Name: (4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclopentane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane];methane;bis((4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane]);(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,4'-oxane]
• SMILES: C.COc1cc(/C=C2\CCCN3C2=NOC2(CCCC2)[C@@H]3c2cc(F)c(C)c(F)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC2(CCCCC2)[C@@H]3c2cc(F)c(C)c(F)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC2(CCCOC2)[C@@H]3c2cc(F)c(C)c(F)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC2(CCCOC2)[C@@H]3c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC2(CCCOC2)[C@@H]3c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC2(CCOCC2)[C@@H]3c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C31H34F2N4O2.C30H32F2N4O3.C30H32F2N4O2.2C30H34N4O3.C29H29F3N4O3.CH4/c1-20-18-36(19-34-20)27-10-9-22(15-28(27)38-3)14-23-8-7-13-37-29(24-16-25(32)21(2)26(33)17-24)31(39-35-30(23)37)11-5-4-6-12-31;1-19-16-35(18-33-19)26-8-7-21(13-27(26)37-3)12-22-6-4-10-36-28(23-14-24(31)20(2)25(32)15-23)30(39-34-29(22)36)9-5-11-38-17-30;1-19-17-35(18-33-19)26-9-8-21(14-27(26)37-3)13-22-7-6-12-36-28(23-15-24(31)20(2)25(32)16-23)30(10-4-5-11-30)38-34-29(22)36;2*1-21-7-10-24(11-8-21)28-30(13-5-15-36-19-30)37-32-29-25(6-4-14-34(28)29)16-23-9-12-26(27(17-23)35-3)33-18-22(2)31-20-33;1-18-16-35(17-33-18)24-6-5-19(13-25(24)37-2)12-20-4-3-9-36-27(21-14-22(30)26(32)23(31)15-21)29(39-34-28(20)36)7-10-38-11-8-29;/h9-10,14-19,29H,4-8,11-13H2,1-3H3;7-8,12-16,18,28H,4-6,9-11,17H2,1-3H3;8-9,13-18,28H,4-7,10-12H2,1-3H3;2*7-12,16-18,20,28H,4-6,13-15,19H2,1-3H3;5-6,12-17,27H,3-4,7-11H2,1-2H3;1H4/b23-14+;22-12+;22-13+;2*25-16+;20-12+;/t29-;28-,30?;28-;2*28-,30?;27-;/m000000./s1
• InChIKey: JUAKALHHIANXBU-DDWBWEHVSA-N
• XLogP: 37.16
• TPSA: 348.20 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 24
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3137.72
LogP ≤ 5	37.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclopentane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane];methane;bis((4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane]);(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,4'-oxane]?

The IUPAC name of (4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclopentane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane];methane;bis((4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane]);(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,4'-oxane] (CID 159023719) is (4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclopentane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane];methane;bis((4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane]);(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,4'-oxane].

What is the SMILES notation for (4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclopentane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane];methane;bis((4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane]);(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,4'-oxane]?

The canonical SMILES for (4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclopentane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane];methane;bis((4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane]);(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,4'-oxane] is C.COc1cc(/C=C2\CCCN3C2=NOC2(CCCC2)[C@@H]3c2cc(F)c(C)c(F)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC2(CCCCC2)[C@@H]3c2cc(F)c(C)c(F)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC2(CCCOC2)[C@@H]3c2cc(F)c(C)c(F)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC2(CCCOC2)[C@@H]3c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC2(CCCOC2)[C@@H]3c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC2(CCOCC2)[C@@H]3c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1.

What is the InChIKey of (4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclopentane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane];methane;bis((4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane]);(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,4'-oxane]?

The InChIKey is JUAKALHHIANXBU-DDWBWEHVSA-N. The full InChI is InChI=1S/C31H34F2N4O2.C30H32F2N4O3.C30H32F2N4O2.2C30H34N4O3.C29H29F3N4O3.CH4/c1-20-18-36(19-34-20)27-10-9-22(15-28(27)38-3)14-23-8-7-13-37-29(24-16-25(32)21(2)26(33)17-24)31(39-35-30(23)37)11-5-4-6-12-31;1-19-16-35(18-33-19)26-8-7-21(13-27(26)37-3)12-22-6-4-10-36-28(23-14-24(31)20(2)25(32)15-23)30(39-34-29(22)36)9-5-11-38-17-30;1-19-17-35(18-33-19)26-9-8-21(14-27(26)37-3)13-22-7-6-12-36-28(23-15-24(31)20(2)25(32)16-23)30(10-4-5-11-30)38-34-29(22)36;2*1-21-7-10-24(11-8-21)28-30(13-5-15-36-19-30)37-32-29-25(6-4-14-34(28)29)16-23-9-12-26(27(17-23)35-3)33-18-22(2)31-20-33;1-18-16-35(17-33-18)24-6-5-19(13-25(24)37-2)12-20-4-3-9-36-27(21-14-22(30)26(32)23(31)15-21)29(39-34-28(20)36)7-10-38-11-8-29;/h9-10,14-19,29H,4-8,11-13H2,1-3H3;7-8,12-16,18,28H,4-6,9-11,17H2,1-3H3;8-9,13-18,28H,4-7,10-12H2,1-3H3;2*7-12,16-18,20,28H,4-6,13-15,19H2,1-3H3;5-6,12-17,27H,3-4,7-11H2,1-2H3;1H4/b23-14+;22-12+;22-13+;2*25-16+;20-12+;/t29-;28-,30?;28-;2*28-,30?;27-;/m000000./s1.

What are the key properties of (4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclopentane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane];methane;bis((4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane]);(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,4'-oxane]?

(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclopentane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane];methane;bis((4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane]);(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,4'-oxane] has a molecular weight of 3137.72 g/mol, XLogP of 37.16, 24 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclopentane];(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane];methane;bis((4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(4-methylphenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,3'-oxane]);(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,4'-oxane] is sourced from PubChem (CID 159023719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).