pentakis(carbon dioxide);4-ethyl-8-[3-[(1-hydroxy-2-pyridinylidene)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-1,2,4,5-tetrahydro-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;methyl 2-(8-hydroxy-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)acetate;4-methyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one

C147H154F12N16O27 — CID 176538546

IUPACpentakis(carbon dioxide);4-ethyl-8-[3-[(1-hydroxy-2-pyridinylidene)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-1,2,4,5-tetrahydro-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;methyl 2-(8-hydroxy-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)acetate;4-methyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one
SMILESCC1Cc2ccc(OCCCNc3ccccn3)cc2CN(Cc2ccc(F)c(F)c2F)C1=O.CCC1Cc2ccc(OCCC/N=c3/ccccn3O)cc2CN(Cc2ccc(F)c(F)c2F)C1=O.CCC1Cc2ccc(OCCCN(C)c3cccc[n+]3[O-])cc2CN(Cc2ccc(F)c(F)c2F)C1=O.CCC1Cc2ccc(OCCCN(C)c3cccc[n+]3[O-])cc2CNC1=O.CCC1Cc2ccc(OCCCNc3ccccn3)cc2CN(Cc2ccc(F)c(F)c2F)C1=O.COC(=O)CC1Cc2ccc(O)cc2CNC1=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C28H30F3N3O3.C27H28F3N3O3.C27H28F3N3O2.C26H26F3N3O2.C21H27N3O3.C13H15NO4.5CO2/c1-3-19-15-20-8-10-23(37-14-6-12-32(2)25-7-4-5-13-34(25)36)16-22(20)18-33(28(19)35)17-21-9-11-24(29)27(31)26(21)30;1-2-18-14-19-7-9-22(36-13-5-11-31-24-6-3-4-12-33(24)35)15-21(19)17-32(27(18)34)16-20-8-10-23(28)26(30)25(20)29;1-2-18-14-19-7-9-22(35-13-5-12-32-24-6-3-4-11-31-24)15-21(19)17-33(27(18)34)16-20-8-10-23(28)26(30)25(20)29;1-17-13-18-6-8-21(34-12-4-11-31-23-5-2-3-10-30-23)14-20(18)16-32(26(17)33)15-19-7-9-22(27)25(29)24(19)28;1-3-16-13-17-8-9-19(14-18(17)15-22-21(16)25)27-12-6-10-23(2)20-7-4-5-11-24(20)26;1-18-12(16)6-9-4-8-2-3-11(15)5-10(8)7-14-13(9)17;5*2-1-3/h4-5,7-11,13,16,19H,3,6,12,14-15,17-18H2,1-2H3;3-4,6-10,12,15,18,35H,2,5,11,13-14,16-17H2,1H3;3-4,6-11,15,18H,2,5,12-14,16-17H2,1H3,(H,31,32);2-3,5-10,14,17H,4,11-13,15-16H2,1H3,(H,30,31);4-5,7-9,11,14,16H,3,6,10,12-13,15H2,1-2H3,(H,22,25);2-3,5,9,15H,4,6-7H2,1H3,(H,14,17);;;;;/b;31-24-;;;;;;;;;
InChIKeyURKUSQDPBHWJBO-JAFXZEBOSA-N
MW2804.91 g/mol
LogP20.22
Rot. Bonds43

About pentakis(carbon dioxide);4-ethyl-8-[3-[(1-hydroxy-2-pyridinylidene)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-1,2,4,5-tetrahydro-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;methyl 2-(8-hydroxy-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)acetate;4-methyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one

pentakis(carbon dioxide);4-ethyl-8-[3-[(1-hydroxy-2-pyridinylidene)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-1,2,4,5-tetrahydro-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;methyl 2-(8-hydroxy-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)acetate;4-methyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one (PubChem CID 176538546) has the molecular formula C147H154F12N16O27 and a molecular weight of 2804.91 g/mol. Its IUPAC name is pentakis(carbon dioxide);4-ethyl-8-[3-[(1-hydroxy-2-pyridinylidene)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-1,2,4,5-tetrahydro-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;methyl 2-(8-hydroxy-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)acetate;4-methyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one.

Molecular Properties

Compound Namepentakis(carbon dioxide);4-ethyl-8-[3-[(1-hydroxy-2-pyridinylidene)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-1,2,4,5-tetrahydro-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;methyl 2-(8-hydroxy-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)acetate;4-methyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one
PubChem CID176538546
Molecular FormulaC147H154F12N16O27
Molecular Weight2804.91 g/mol
Exact Mass2803.10
IUPAC Namepentakis(carbon dioxide);4-ethyl-8-[3-[(1-hydroxy-2-pyridinylidene)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-1,2,4,5-tetrahydro-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;methyl 2-(8-hydroxy-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)acetate;4-methyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one
SMILESCC1Cc2ccc(OCCCNc3ccccn3)cc2CN(Cc2ccc(F)c(F)c2F)C1=O.CCC1Cc2ccc(OCCC/N=c3/ccccn3O)cc2CN(Cc2ccc(F)c(F)c2F)C1=O.CCC1Cc2ccc(OCCCN(C)c3cccc[n+]3[O-])cc2CN(Cc2ccc(F)c(F)c2F)C1=O.CCC1Cc2ccc(OCCCN(C)c3cccc[n+]3[O-])cc2CNC1=O.CCC1Cc2ccc(OCCCNc3ccccn3)cc2CN(Cc2ccc(F)c(F)c2F)C1=O.COC(=O)CC1Cc2ccc(O)cc2CNC1=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C28H30F3N3O3.C27H28F3N3O3.C27H28F3N3O2.C26H26F3N3O2.C21H27N3O3.C13H15NO4.5CO2/c1-3-19-15-20-8-10-23(37-14-6-12-32(2)25-7-4-5-13-34(25)36)16-22(20)18-33(28(19)35)17-21-9-11-24(29)27(31)26(21)30;1-2-18-14-19-7-9-22(36-13-5-11-31-24-6-3-4-12-33(24)35)15-21(19)17-32(27(18)34)16-20-8-10-23(28)26(30)25(20)29;1-2-18-14-19-7-9-22(35-13-5-12-32-24-6-3-4-11-31-24)15-21(19)17-33(27(18)34)16-20-8-10-23(28)26(30)25(20)29;1-17-13-18-6-8-21(34-12-4-11-31-23-5-2-3-10-30-23)14-20(18)16-32(26(17)33)15-19-7-9-22(27)25(29)24(19)28;1-3-16-13-17-8-9-19(14-18(17)15-22-21(16)25)27-12-6-10-23(2)20-7-4-5-11-24(20)26;1-18-12(16)6-9-4-8-2-3-11(15)5-10(8)7-14-13(9)17;5*2-1-3/h4-5,7-11,13,16,19H,3,6,12,14-15,17-18H2,1-2H3;3-4,6-10,12,15,18,35H,2,5,11,13-14,16-17H2,1H3;3-4,6-11,15,18H,2,5,12-14,16-17H2,1H3,(H,31,32);2-3,5-10,14,17H,4,11-13,15-16H2,1H3,(H,30,31);4-5,7-9,11,14,16H,3,6,10,12-13,15H2,1-2H3,(H,22,25);2-3,5,9,15H,4,6-7H2,1H3,(H,14,17);;;;;/b;31-24-;;;;;;;;;
InChIKeyURKUSQDPBHWJBO-JAFXZEBOSA-N
XLogP20.22
TPSA550.54 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds43
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002804.91
LogP ≤ 520.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze pentakis(carbon dioxide);4-ethyl-8-[3-[(1-hydroxy-2-pyridinylidene)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-1,2,4,5-tetrahydro-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;methyl 2-(8-hydroxy-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)acetate;4-methyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of pentakis(carbon dioxide);4-ethyl-8-[3-[(1-hydroxy-2-pyridinylidene)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-1,2,4,5-tetrahydro-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;methyl 2-(8-hydroxy-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)acetate;4-methyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one?
The IUPAC name of pentakis(carbon dioxide);4-ethyl-8-[3-[(1-hydroxy-2-pyridinylidene)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-1,2,4,5-tetrahydro-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;methyl 2-(8-hydroxy-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)acetate;4-methyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one (CID 176538546) is pentakis(carbon dioxide);4-ethyl-8-[3-[(1-hydroxy-2-pyridinylidene)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-1,2,4,5-tetrahydro-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;methyl 2-(8-hydroxy-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)acetate;4-methyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one.
What is the SMILES notation for pentakis(carbon dioxide);4-ethyl-8-[3-[(1-hydroxy-2-pyridinylidene)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-1,2,4,5-tetrahydro-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;methyl 2-(8-hydroxy-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)acetate;4-methyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one?
The canonical SMILES for pentakis(carbon dioxide);4-ethyl-8-[3-[(1-hydroxy-2-pyridinylidene)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-1,2,4,5-tetrahydro-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;methyl 2-(8-hydroxy-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)acetate;4-methyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one is CC1Cc2ccc(OCCCNc3ccccn3)cc2CN(Cc2ccc(F)c(F)c2F)C1=O.CCC1Cc2ccc(OCCC/N=c3/ccccn3O)cc2CN(Cc2ccc(F)c(F)c2F)C1=O.CCC1Cc2ccc(OCCCN(C)c3cccc[n+]3[O-])cc2CN(Cc2ccc(F)c(F)c2F)C1=O.CCC1Cc2ccc(OCCCN(C)c3cccc[n+]3[O-])cc2CNC1=O.CCC1Cc2ccc(OCCCNc3ccccn3)cc2CN(Cc2ccc(F)c(F)c2F)C1=O.COC(=O)CC1Cc2ccc(O)cc2CNC1=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of pentakis(carbon dioxide);4-ethyl-8-[3-[(1-hydroxy-2-pyridinylidene)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-1,2,4,5-tetrahydro-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;methyl 2-(8-hydroxy-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)acetate;4-methyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one?
The InChIKey is URKUSQDPBHWJBO-JAFXZEBOSA-N. The full InChI is InChI=1S/C28H30F3N3O3.C27H28F3N3O3.C27H28F3N3O2.C26H26F3N3O2.C21H27N3O3.C13H15NO4.5CO2/c1-3-19-15-20-8-10-23(37-14-6-12-32(2)25-7-4-5-13-34(25)36)16-22(20)18-33(28(19)35)17-21-9-11-24(29)27(31)26(21)30;1-2-18-14-19-7-9-22(36-13-5-11-31-24-6-3-4-12-33(24)35)15-21(19)17-32(27(18)34)16-20-8-10-23(28)26(30)25(20)29;1-2-18-14-19-7-9-22(35-13-5-12-32-24-6-3-4-11-31-24)15-21(19)17-33(27(18)34)16-20-8-10-23(28)26(30)25(20)29;1-17-13-18-6-8-21(34-12-4-11-31-23-5-2-3-10-30-23)14-20(18)16-32(26(17)33)15-19-7-9-22(27)25(29)24(19)28;1-3-16-13-17-8-9-19(14-18(17)15-22-21(16)25)27-12-6-10-23(2)20-7-4-5-11-24(20)26;1-18-12(16)6-9-4-8-2-3-11(15)5-10(8)7-14-13(9)17;5*2-1-3/h4-5,7-11,13,16,19H,3,6,12,14-15,17-18H2,1-2H3;3-4,6-10,12,15,18,35H,2,5,11,13-14,16-17H2,1H3;3-4,6-11,15,18H,2,5,12-14,16-17H2,1H3,(H,31,32);2-3,5-10,14,17H,4,11-13,15-16H2,1H3,(H,30,31);4-5,7-9,11,14,16H,3,6,10,12-13,15H2,1-2H3,(H,22,25);2-3,5,9,15H,4,6-7H2,1H3,(H,14,17);;;;;/b;31-24-;;;;;;;;;.
What are the key properties of pentakis(carbon dioxide);4-ethyl-8-[3-[(1-hydroxy-2-pyridinylidene)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-1,2,4,5-tetrahydro-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;methyl 2-(8-hydroxy-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)acetate;4-methyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one?
pentakis(carbon dioxide);4-ethyl-8-[3-[(1-hydroxy-2-pyridinylidene)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-1,2,4,5-tetrahydro-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;methyl 2-(8-hydroxy-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)acetate;4-methyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one has a molecular weight of 2804.91 g/mol, XLogP of 20.22, 43 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(carbon dioxide);4-ethyl-8-[3-[(1-hydroxy-2-pyridinylidene)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-1,2,4,5-tetrahydro-2-benzazepin-3-one;4-ethyl-8-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;4-ethyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one;methyl 2-(8-hydroxy-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)acetate;4-methyl-8-[3-(pyridin-2-ylamino)propoxy]-2-[(2,3,4-trifluorophenyl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one is sourced from PubChem (CID 176538546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).