1-amino-3-[4-(morpholine-4-carbonyl)phenyl]urea;deuterio(fluoro)methane;dichloromethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1H-1,2,4-triazol-5-one;methane;1-[4-(morpholine-4-carbonyl)phenyl]-3-[[5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoyl]amino]urea;4-[4-(morpholine-4-carbonyl)phenyl]-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-5-one;oxolane;4-[5-oxo-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-4-yl]benzoic acid;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid;trichloroborane

C139H176BCl5FN19O29 — CID 158191247

IUPAC1-amino-3-[4-(morpholine-4-carbonyl)phenyl]urea;deuterio(fluoro)methane;dichloromethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1H-1,2,4-triazol-5-one;methane;1-[4-(morpholine-4-carbonyl)phenyl]-3-[[5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoyl]amino]urea;4-[4-(morpholine-4-carbonyl)phenyl]-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-5-one;oxolane;4-[5-oxo-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-4-yl]benzoic acid;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid;trichloroborane
SMILESC.C.C.C1CCOC1.C=CCOc1cc(OCC=C)c(C(C)C)cc1-c1n[nH]c(=O)n1-c1ccc(C(=O)N2CCOCC2)cc1.C=CCOc1cc(OCC=C)c(C(C)C)cc1-c1n[nH]c(=O)n1-c1ccc(C(=O)O)cc1.C=CCOc1cc(OCC=C)c(C(C)C)cc1C(=O)NNC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1.C=CCOc1cc(OCC=C)c(C(C)C)cc1C(=O)O.CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc(C(=O)N3CCOCC3)cc2)c(O)cc1O.ClB(Cl)Cl.ClCCl.NNC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1.[2H]CF
InChIInChI=1S/C28H34N4O6.C28H32N4O5.C24H25N3O5.C22H24N4O5.C16H20O4.C12H16N4O3.C4H8O.CH2Cl2.CH3F.3CH4.BCl3/c1-5-13-37-24-18-25(38-14-6-2)23(17-22(24)19(3)4)26(33)30-31-28(35)29-21-9-7-20(8-10-21)27(34)32-11-15-36-16-12-32;1-5-13-36-24-18-25(37-14-6-2)23(17-22(24)19(3)4)26-29-30-28(34)32(26)21-9-7-20(8-10-21)27(33)31-11-15-35-16-12-31;1-5-11-31-20-14-21(32-12-6-2)19(13-18(20)15(3)4)22-25-26-24(30)27(22)17-9-7-16(8-10-17)23(28)29;1-13(2)16-11-17(19(28)12-18(16)27)20-23-24-22(30)26(20)15-5-3-14(4-6-15)21(29)25-7-9-31-10-8-25;1-5-7-19-14-10-15(20-8-6-2)13(16(17)18)9-12(14)11(3)4;13-15-12(18)14-10-3-1-9(2-4-10)11(17)16-5-7-19-8-6-16;1-2-4-5-3-1;2-1-3;1-2;;;;2-1(3)4/h5-10,17-19H,1-2,11-16H2,3-4H3,(H,30,33)(H2,29,31,35);5-10,17-19H,1-2,11-16H2,3-4H3,(H,30,34);5-10,13-15H,1-2,11-12H2,3-4H3,(H,26,30)(H,28,29);3-6,11-13,27-28H,7-10H2,1-2H3,(H,24,30);5-6,9-11H,1-2,7-8H2,3-4H3,(H,17,18);1-4H,5-8,13H2,(H2,14,15,18);1-4H2;1H2;1H3;3*1H4;/i;;;;;;;;1D;;;;
InChIKeyFZTXDGRAGLRHHY-QOOJNRIXSA-N
MW2785.12 g/mol
LogP24.44
Rot. Bonds44

About 1-amino-3-[4-(morpholine-4-carbonyl)phenyl]urea;deuterio(fluoro)methane;dichloromethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1H-1,2,4-triazol-5-one;methane;1-[4-(morpholine-4-carbonyl)phenyl]-3-[[5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoyl]amino]urea;4-[4-(morpholine-4-carbonyl)phenyl]-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-5-one;oxolane;4-[5-oxo-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-4-yl]benzoic acid;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid;trichloroborane

1-amino-3-[4-(morpholine-4-carbonyl)phenyl]urea;deuterio(fluoro)methane;dichloromethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1H-1,2,4-triazol-5-one;methane;1-[4-(morpholine-4-carbonyl)phenyl]-3-[[5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoyl]amino]urea;4-[4-(morpholine-4-carbonyl)phenyl]-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-5-one;oxolane;4-[5-oxo-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-4-yl]benzoic acid;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid;trichloroborane (PubChem CID 158191247) has the molecular formula C139H176BCl5FN19O29 and a molecular weight of 2785.12 g/mol. Its IUPAC name is 1-amino-3-[4-(morpholine-4-carbonyl)phenyl]urea;deuterio(fluoro)methane;dichloromethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1H-1,2,4-triazol-5-one;methane;1-[4-(morpholine-4-carbonyl)phenyl]-3-[[5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoyl]amino]urea;4-[4-(morpholine-4-carbonyl)phenyl]-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-5-one;oxolane;4-[5-oxo-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-4-yl]benzoic acid;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid;trichloroborane.

Molecular Properties

Compound Name1-amino-3-[4-(morpholine-4-carbonyl)phenyl]urea;deuterio(fluoro)methane;dichloromethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1H-1,2,4-triazol-5-one;methane;1-[4-(morpholine-4-carbonyl)phenyl]-3-[[5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoyl]amino]urea;4-[4-(morpholine-4-carbonyl)phenyl]-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-5-one;oxolane;4-[5-oxo-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-4-yl]benzoic acid;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid;trichloroborane
PubChem CID158191247
Molecular FormulaC139H176BCl5FN19O29
Molecular Weight2785.12 g/mol
Exact Mass2781.15
IUPAC Name1-amino-3-[4-(morpholine-4-carbonyl)phenyl]urea;deuterio(fluoro)methane;dichloromethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1H-1,2,4-triazol-5-one;methane;1-[4-(morpholine-4-carbonyl)phenyl]-3-[[5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoyl]amino]urea;4-[4-(morpholine-4-carbonyl)phenyl]-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-5-one;oxolane;4-[5-oxo-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-4-yl]benzoic acid;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid;trichloroborane
SMILESC.C.C.C1CCOC1.C=CCOc1cc(OCC=C)c(C(C)C)cc1-c1n[nH]c(=O)n1-c1ccc(C(=O)N2CCOCC2)cc1.C=CCOc1cc(OCC=C)c(C(C)C)cc1-c1n[nH]c(=O)n1-c1ccc(C(=O)O)cc1.C=CCOc1cc(OCC=C)c(C(C)C)cc1C(=O)NNC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1.C=CCOc1cc(OCC=C)c(C(C)C)cc1C(=O)O.CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc(C(=O)N3CCOCC3)cc2)c(O)cc1O.ClB(Cl)Cl.ClCCl.NNC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1.[2H]CF
InChIInChI=1S/C28H34N4O6.C28H32N4O5.C24H25N3O5.C22H24N4O5.C16H20O4.C12H16N4O3.C4H8O.CH2Cl2.CH3F.3CH4.BCl3/c1-5-13-37-24-18-25(38-14-6-2)23(17-22(24)19(3)4)26(33)30-31-28(35)29-21-9-7-20(8-10-21)27(34)32-11-15-36-16-12-32;1-5-13-36-24-18-25(37-14-6-2)23(17-22(24)19(3)4)26-29-30-28(34)32(26)21-9-7-20(8-10-21)27(33)31-11-15-35-16-12-31;1-5-11-31-20-14-21(32-12-6-2)19(13-18(20)15(3)4)22-25-26-24(30)27(22)17-9-7-16(8-10-17)23(28)29;1-13(2)16-11-17(19(28)12-18(16)27)20-23-24-22(30)26(20)15-5-3-14(4-6-15)21(29)25-7-9-31-10-8-25;1-5-7-19-14-10-15(20-8-6-2)13(16(17)18)9-12(14)11(3)4;13-15-12(18)14-10-3-1-9(2-4-10)11(17)16-5-7-19-8-6-16;1-2-4-5-3-1;2-1-3;1-2;;;;2-1(3)4/h5-10,17-19H,1-2,11-16H2,3-4H3,(H,30,33)(H2,29,31,35);5-10,17-19H,1-2,11-16H2,3-4H3,(H,30,34);5-10,13-15H,1-2,11-12H2,3-4H3,(H,26,30)(H,28,29);3-6,11-13,27-28H,7-10H2,1-2H3,(H,24,30);5-6,9-11H,1-2,7-8H2,3-4H3,(H,17,18);1-4H,5-8,13H2,(H2,14,15,18);1-4H2;1H2;1H3;3*1H4;/i;;;;;;;;1D;;;;
InChIKeyFZTXDGRAGLRHHY-QOOJNRIXSA-N
XLogP24.44
TPSA605.71 Ų
H-Bond Donors13
H-Bond Acceptors34
Rotatable Bonds44
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002785.12
LogP ≤ 524.44
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-amino-3-[4-(morpholine-4-carbonyl)phenyl]urea;deuterio(fluoro)methane;dichloromethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1H-1,2,4-triazol-5-one;methane;1-[4-(morpholine-4-carbonyl)phenyl]-3-[[5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoyl]amino]urea;4-[4-(morpholine-4-carbonyl)phenyl]-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-5-one;oxolane;4-[5-oxo-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-4-yl]benzoic acid;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid;trichloroborane with MolForge

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Related Compounds

1-[4-(morpholine-4-carbonyl)cyclohexa-1,3-dien-1-yl]-3-[[5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoyl]amino]urea
CID 143289792
3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[[4-(4-sulfanylbenzoyl)piperazin-1-yl]methyl]phenyl]-1H-1,2,4-triazol-5-one
CID 137128502
1-amino-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione;ethanol;ethyl acetate;hydrazine;methanol;4-(morpholin-4-ylmethyl)aniline;[4-(morpholin-4-ylmethyl)phenyl] thiocyanate;4-[(4-nitrophenyl)methyl]morpholine;oxolane;hydrate
CID 160636888
[4-[2-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]-2-oxoethyl]phenyl] N-[1-[4-[[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]benzoyl]piperidin-4-yl]-N-ethylcarbamate
CID 162710676
4-[4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]piperazine-1-carbonyl]piperidine-1-carboxylic acid
CID 136501824
3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(piperidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-5-one;methane
CID 165073816
3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-1H-1,2,4-triazol-5-one
CID 177126538
1-[2-[4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]piperazin-1-yl]acetyl]piperidine-4-carboxylic acid
CID 136501857
3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazol-5-one
CID 59829857
sodium;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfanyl-1,2,4-triazol-4-yl]propyl]morpholine;4-[3-[3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-5-methylsulfonyl-1,2,4-triazol-4-yl]propyl]morpholine;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazol-5-one;iodomethane;methane;2-(methoxymethoxy)-4-methyl-5-propan-2-ylbenzohydrazide;O-phenyl N-(3-morpholin-4-ylpropyl)carbamothioate;hydroxide
CID 162115453
ethane;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid
CID 143874720
4-[4-[[1-[(1-acetylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]phenyl]-3-(2,4-dihydroxy-5-propan-2-ylphenyl)-1H-1,2,4-triazol-5-one
CID 155206091

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[4-(morpholine-4-carbonyl)phenyl]urea;deuterio(fluoro)methane;dichloromethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1H-1,2,4-triazol-5-one;methane;1-[4-(morpholine-4-carbonyl)phenyl]-3-[[5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoyl]amino]urea;4-[4-(morpholine-4-carbonyl)phenyl]-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-5-one;oxolane;4-[5-oxo-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-4-yl]benzoic acid;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid;trichloroborane?
The IUPAC name of 1-amino-3-[4-(morpholine-4-carbonyl)phenyl]urea;deuterio(fluoro)methane;dichloromethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1H-1,2,4-triazol-5-one;methane;1-[4-(morpholine-4-carbonyl)phenyl]-3-[[5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoyl]amino]urea;4-[4-(morpholine-4-carbonyl)phenyl]-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-5-one;oxolane;4-[5-oxo-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-4-yl]benzoic acid;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid;trichloroborane (CID 158191247) is 1-amino-3-[4-(morpholine-4-carbonyl)phenyl]urea;deuterio(fluoro)methane;dichloromethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1H-1,2,4-triazol-5-one;methane;1-[4-(morpholine-4-carbonyl)phenyl]-3-[[5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoyl]amino]urea;4-[4-(morpholine-4-carbonyl)phenyl]-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-5-one;oxolane;4-[5-oxo-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-4-yl]benzoic acid;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid;trichloroborane.
What is the SMILES notation for 1-amino-3-[4-(morpholine-4-carbonyl)phenyl]urea;deuterio(fluoro)methane;dichloromethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1H-1,2,4-triazol-5-one;methane;1-[4-(morpholine-4-carbonyl)phenyl]-3-[[5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoyl]amino]urea;4-[4-(morpholine-4-carbonyl)phenyl]-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-5-one;oxolane;4-[5-oxo-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-4-yl]benzoic acid;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid;trichloroborane?
The canonical SMILES for 1-amino-3-[4-(morpholine-4-carbonyl)phenyl]urea;deuterio(fluoro)methane;dichloromethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1H-1,2,4-triazol-5-one;methane;1-[4-(morpholine-4-carbonyl)phenyl]-3-[[5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoyl]amino]urea;4-[4-(morpholine-4-carbonyl)phenyl]-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-5-one;oxolane;4-[5-oxo-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-4-yl]benzoic acid;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid;trichloroborane is C.C.C.C1CCOC1.C=CCOc1cc(OCC=C)c(C(C)C)cc1-c1n[nH]c(=O)n1-c1ccc(C(=O)N2CCOCC2)cc1.C=CCOc1cc(OCC=C)c(C(C)C)cc1-c1n[nH]c(=O)n1-c1ccc(C(=O)O)cc1.C=CCOc1cc(OCC=C)c(C(C)C)cc1C(=O)NNC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1.C=CCOc1cc(OCC=C)c(C(C)C)cc1C(=O)O.CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc(C(=O)N3CCOCC3)cc2)c(O)cc1O.ClB(Cl)Cl.ClCCl.NNC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1.[2H]CF.
What is the InChIKey of 1-amino-3-[4-(morpholine-4-carbonyl)phenyl]urea;deuterio(fluoro)methane;dichloromethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1H-1,2,4-triazol-5-one;methane;1-[4-(morpholine-4-carbonyl)phenyl]-3-[[5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoyl]amino]urea;4-[4-(morpholine-4-carbonyl)phenyl]-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-5-one;oxolane;4-[5-oxo-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-4-yl]benzoic acid;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid;trichloroborane?
The InChIKey is FZTXDGRAGLRHHY-QOOJNRIXSA-N. The full InChI is InChI=1S/C28H34N4O6.C28H32N4O5.C24H25N3O5.C22H24N4O5.C16H20O4.C12H16N4O3.C4H8O.CH2Cl2.CH3F.3CH4.BCl3/c1-5-13-37-24-18-25(38-14-6-2)23(17-22(24)19(3)4)26(33)30-31-28(35)29-21-9-7-20(8-10-21)27(34)32-11-15-36-16-12-32;1-5-13-36-24-18-25(37-14-6-2)23(17-22(24)19(3)4)26-29-30-28(34)32(26)21-9-7-20(8-10-21)27(33)31-11-15-35-16-12-31;1-5-11-31-20-14-21(32-12-6-2)19(13-18(20)15(3)4)22-25-26-24(30)27(22)17-9-7-16(8-10-17)23(28)29;1-13(2)16-11-17(19(28)12-18(16)27)20-23-24-22(30)26(20)15-5-3-14(4-6-15)21(29)25-7-9-31-10-8-25;1-5-7-19-14-10-15(20-8-6-2)13(16(17)18)9-12(14)11(3)4;13-15-12(18)14-10-3-1-9(2-4-10)11(17)16-5-7-19-8-6-16;1-2-4-5-3-1;2-1-3;1-2;;;;2-1(3)4/h5-10,17-19H,1-2,11-16H2,3-4H3,(H,30,33)(H2,29,31,35);5-10,17-19H,1-2,11-16H2,3-4H3,(H,30,34);5-10,13-15H,1-2,11-12H2,3-4H3,(H,26,30)(H,28,29);3-6,11-13,27-28H,7-10H2,1-2H3,(H,24,30);5-6,9-11H,1-2,7-8H2,3-4H3,(H,17,18);1-4H,5-8,13H2,(H2,14,15,18);1-4H2;1H2;1H3;3*1H4;/i;;;;;;;;1D;;;;.
What are the key properties of 1-amino-3-[4-(morpholine-4-carbonyl)phenyl]urea;deuterio(fluoro)methane;dichloromethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1H-1,2,4-triazol-5-one;methane;1-[4-(morpholine-4-carbonyl)phenyl]-3-[[5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoyl]amino]urea;4-[4-(morpholine-4-carbonyl)phenyl]-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-5-one;oxolane;4-[5-oxo-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-4-yl]benzoic acid;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid;trichloroborane?
1-amino-3-[4-(morpholine-4-carbonyl)phenyl]urea;deuterio(fluoro)methane;dichloromethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1H-1,2,4-triazol-5-one;methane;1-[4-(morpholine-4-carbonyl)phenyl]-3-[[5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoyl]amino]urea;4-[4-(morpholine-4-carbonyl)phenyl]-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-5-one;oxolane;4-[5-oxo-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-4-yl]benzoic acid;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid;trichloroborane has a molecular weight of 2785.12 g/mol, XLogP of 24.44, 44 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[4-(morpholine-4-carbonyl)phenyl]urea;deuterio(fluoro)methane;dichloromethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(morpholine-4-carbonyl)phenyl]-1H-1,2,4-triazol-5-one;methane;1-[4-(morpholine-4-carbonyl)phenyl]-3-[[5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoyl]amino]urea;4-[4-(morpholine-4-carbonyl)phenyl]-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-5-one;oxolane;4-[5-oxo-3-[5-propan-2-yl-2,4-bis(prop-2-enoxy)phenyl]-1H-1,2,4-triazol-4-yl]benzoic acid;5-propan-2-yl-2,4-bis(prop-2-enoxy)benzoic acid;trichloroborane is sourced from PubChem (CID 158191247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).