9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-methyl-1,6,7,9-tetrahydropyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,9-tetrahydro-[1,4]oxazino[4,3-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol

C128H133F5N22O12 — CID 158568449

IUPAC9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-methyl-1,6,7,9-tetrahydropyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,9-tetrahydro-[1,4]oxazino[4,3-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol
SMILESCOc1cc(/C=C/C2=NOCC3(c4ccc(F)cc4)C(O)CCCN23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NOCC3(c4ccc(F)cc4)CCCCN23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NOCC3(c4ccc(F)cc4)CN(C)CCN23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NOCC3(c4ccc(F)cc4)CNCCN23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NOCC3(c4ccc(F)cc4)COCCN23)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H28FN5O2.C26H27FN4O3.C26H27FN4O2.C25H26FN5O2.C25H25FN4O3/c1-19-15-31(18-28-19)23-10-4-20(14-24(23)33-3)5-11-25-29-34-17-26(16-30(2)12-13-32(25)26)21-6-8-22(27)9-7-21;1-18-15-30(17-28-18)22-11-5-19(14-23(22)33-2)6-12-25-29-34-16-26(20-7-9-21(27)10-8-20)24(32)4-3-13-31(25)26;1-19-16-30(18-28-19)23-11-5-20(15-24(23)32-2)6-12-25-29-33-17-26(13-3-4-14-31(25)26)21-7-9-22(27)10-8-21;1-18-14-30(17-28-18)22-9-3-19(13-23(22)32-2)4-10-24-29-33-16-25(15-27-11-12-31(24)25)20-5-7-21(26)8-6-20;1-18-14-29(17-27-18)22-9-3-19(13-23(22)31-2)4-10-24-28-33-16-25(15-32-12-11-30(24)25)20-5-7-21(26)8-6-20/h4-11,14-15,18H,12-13,16-17H2,1-3H3;5-12,14-15,17,24,32H,3-4,13,16H2,1-2H3;5-12,15-16,18H,3-4,13-14,17H2,1-2H3;3-10,13-14,17,27H,11-12,15-16H2,1-2H3;3-10,13-14,17H,11-12,15-16H2,1-2H3/b11-5+;2*12-6+;2*10-4+
InChIKeyHRTWFXNAVKRWSO-QSFRLVHOSA-N
MW2266.60 g/mol
LogP20.33
Rot. Bonds25

About 9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-methyl-1,6,7,9-tetrahydropyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,9-tetrahydro-[1,4]oxazino[4,3-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol

9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-methyl-1,6,7,9-tetrahydropyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,9-tetrahydro-[1,4]oxazino[4,3-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol (PubChem CID 158568449) has the molecular formula C128H133F5N22O12 and a molecular weight of 2266.60 g/mol. Its IUPAC name is 9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-methyl-1,6,7,9-tetrahydropyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,9-tetrahydro-[1,4]oxazino[4,3-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol.

Molecular Properties

Compound Name9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-methyl-1,6,7,9-tetrahydropyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,9-tetrahydro-[1,4]oxazino[4,3-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol
PubChem CID158568449
Molecular FormulaC128H133F5N22O12
Molecular Weight2266.60 g/mol
Exact Mass2265.04
IUPAC Name9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-methyl-1,6,7,9-tetrahydropyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,9-tetrahydro-[1,4]oxazino[4,3-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol
SMILESCOc1cc(/C=C/C2=NOCC3(c4ccc(F)cc4)C(O)CCCN23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NOCC3(c4ccc(F)cc4)CCCCN23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NOCC3(c4ccc(F)cc4)CN(C)CCN23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NOCC3(c4ccc(F)cc4)CNCCN23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NOCC3(c4ccc(F)cc4)COCCN23)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H28FN5O2.C26H27FN4O3.C26H27FN4O2.C25H26FN5O2.C25H25FN4O3/c1-19-15-31(18-28-19)23-10-4-20(14-24(23)33-3)5-11-25-29-34-17-26(16-30(2)12-13-32(25)26)21-6-8-22(27)9-7-21;1-18-15-30(17-28-18)22-11-5-19(14-23(22)33-2)6-12-25-29-34-16-26(20-7-9-21(27)10-8-20)24(32)4-3-13-31(25)26;1-19-16-30(18-28-19)23-11-5-20(15-24(23)32-2)6-12-25-29-33-17-26(13-3-4-14-31(25)26)21-7-9-22(27)10-8-21;1-18-14-30(17-28-18)22-9-3-19(13-23(22)32-2)4-10-24-29-33-16-25(15-27-11-12-31(24)25)20-5-7-21(26)8-6-20;1-18-14-29(17-27-18)22-9-3-19(13-23(22)31-2)4-10-24-28-33-16-25(15-32-12-11-30(24)25)20-5-7-21(26)8-6-20/h4-11,14-15,18H,12-13,16-17H2,1-3H3;5-12,14-15,17,24,32H,3-4,13,16H2,1-2H3;5-12,15-16,18H,3-4,13-14,17H2,1-2H3;3-10,13-14,17,27H,11-12,15-16H2,1-2H3;3-10,13-14,17H,11-12,15-16H2,1-2H3/b11-5+;2*12-6+;2*10-4+
InChIKeyHRTWFXNAVKRWSO-QSFRLVHOSA-N
XLogP20.33
TPSA304.13 Ų
H-Bond Donors2
H-Bond Acceptors34
Rotatable Bonds25
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002266.60
LogP ≤ 520.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1034

Analyze 9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-methyl-1,6,7,9-tetrahydropyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,9-tetrahydro-[1,4]oxazino[4,3-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-methyl-1,6,7,9-tetrahydropyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,9-tetrahydro-[1,4]oxazino[4,3-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol?
The IUPAC name of 9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-methyl-1,6,7,9-tetrahydropyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,9-tetrahydro-[1,4]oxazino[4,3-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol (CID 158568449) is 9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-methyl-1,6,7,9-tetrahydropyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,9-tetrahydro-[1,4]oxazino[4,3-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol.
What is the SMILES notation for 9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-methyl-1,6,7,9-tetrahydropyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,9-tetrahydro-[1,4]oxazino[4,3-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol?
The canonical SMILES for 9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-methyl-1,6,7,9-tetrahydropyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,9-tetrahydro-[1,4]oxazino[4,3-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol is COc1cc(/C=C/C2=NOCC3(c4ccc(F)cc4)C(O)CCCN23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NOCC3(c4ccc(F)cc4)CCCCN23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NOCC3(c4ccc(F)cc4)CN(C)CCN23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NOCC3(c4ccc(F)cc4)CNCCN23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NOCC3(c4ccc(F)cc4)COCCN23)ccc1-n1cnc(C)c1.
What is the InChIKey of 9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-methyl-1,6,7,9-tetrahydropyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,9-tetrahydro-[1,4]oxazino[4,3-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol?
The InChIKey is HRTWFXNAVKRWSO-QSFRLVHOSA-N. The full InChI is InChI=1S/C26H28FN5O2.C26H27FN4O3.C26H27FN4O2.C25H26FN5O2.C25H25FN4O3/c1-19-15-31(18-28-19)23-10-4-20(14-24(23)33-3)5-11-25-29-34-17-26(16-30(2)12-13-32(25)26)21-6-8-22(27)9-7-21;1-18-15-30(17-28-18)22-11-5-19(14-23(22)33-2)6-12-25-29-34-16-26(20-7-9-21(27)10-8-20)24(32)4-3-13-31(25)26;1-19-16-30(18-28-19)23-11-5-20(15-24(23)32-2)6-12-25-29-33-17-26(13-3-4-14-31(25)26)21-7-9-22(27)10-8-21;1-18-14-30(17-28-18)22-9-3-19(13-23(22)32-2)4-10-24-29-33-16-25(15-27-11-12-31(24)25)20-5-7-21(26)8-6-20;1-18-14-29(17-27-18)22-9-3-19(13-23(22)31-2)4-10-24-28-33-16-25(15-32-12-11-30(24)25)20-5-7-21(26)8-6-20/h4-11,14-15,18H,12-13,16-17H2,1-3H3;5-12,14-15,17,24,32H,3-4,13,16H2,1-2H3;5-12,15-16,18H,3-4,13-14,17H2,1-2H3;3-10,13-14,17,27H,11-12,15-16H2,1-2H3;3-10,13-14,17H,11-12,15-16H2,1-2H3/b11-5+;2*12-6+;2*10-4+.
What are the key properties of 9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-methyl-1,6,7,9-tetrahydropyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,9-tetrahydro-[1,4]oxazino[4,3-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol?
9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-methyl-1,6,7,9-tetrahydropyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,9-tetrahydro-[1,4]oxazino[4,3-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol has a molecular weight of 2266.60 g/mol, XLogP of 20.33, 25 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-methyl-1,6,7,9-tetrahydropyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,9-tetrahydro-[1,4]oxazino[4,3-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrazino[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazine;9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-9-ol is sourced from PubChem (CID 158568449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).