C107H124F4N8O23PS2WY- — CID 159426608
6-aminohexan-1-ol;carbanide;[deuterio(methyl)-λ4-sulfanylidene]tungsten;4-[3-(4-fluorophenyl)propanoyl]-6-hydroxy-2,9-diazatricyclo[7.5.0.02,7]tetradeca-3,6-diene-5,8-dione;5-[3-(4-fluorophenyl)propanoyl]-N-(6-hydroxyhexyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-N-(6-oxohexyl)-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;trioxidanylsulfanylphosphane;yttrium (PubChem CID 159426608) has the molecular formula C107H124F4N8O23PS2WY- and a molecular weight of 2335.05 g/mol. Its IUPAC name is 6-aminohexan-1-ol;carbanide;[deuterio(methyl)-λ4-sulfanylidene]tungsten;4-[3-(4-fluorophenyl)propanoyl]-6-hydroxy-2,9-diazatricyclo[7.5.0.02,7]tetradeca-3,6-diene-5,8-dione;5-[3-(4-fluorophenyl)propanoyl]-N-(6-hydroxyhexyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-N-(6-oxohexyl)-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;trioxidanylsulfanylphosphane;yttrium.
| Compound Name | 6-aminohexan-1-ol;carbanide;[deuterio(methyl)-λ4-sulfanylidene]tungsten;4-[3-(4-fluorophenyl)propanoyl]-6-hydroxy-2,9-diazatricyclo[7.5.0.02,7]tetradeca-3,6-diene-5,8-dione;5-[3-(4-fluorophenyl)propanoyl]-N-(6-hydroxyhexyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-N-(6-oxohexyl)-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;trioxidanylsulfanylphosphane;yttrium |
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| PubChem CID | 159426608 |
| Molecular Formula | C107H124F4N8O23PS2WY- |
| Molecular Weight | 2335.05 g/mol |
| Exact Mass | 2333.65 |
| IUPAC Name | 6-aminohexan-1-ol;carbanide;[deuterio(methyl)-λ4-sulfanylidene]tungsten;4-[3-(4-fluorophenyl)propanoyl]-6-hydroxy-2,9-diazatricyclo[7.5.0.02,7]tetradeca-3,6-diene-5,8-dione;5-[3-(4-fluorophenyl)propanoyl]-N-(6-hydroxyhexyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-N-(6-oxohexyl)-3-phenylmethoxy-1H-pyridine-2-carboxamide;5-[3-(4-fluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;trioxidanylsulfanylphosphane;yttrium |
| SMILES | NCCCCCCO.O=C(CCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N1CCCCCC12.O=C(NCCCCCCO)c1[nH]cc(C(=O)CCc2ccc(F)cc2)c(=O)c1OCc1ccccc1.O=C(O)c1[nH]cc(C(=O)CCc2ccc(F)cc2)c(=O)c1OCc1ccccc1.O=CCCCCCNC(=O)c1[nH]cc(C(=O)CCc2ccc(F)cc2)c(=O)c1OCc1ccccc1.OOOSP.[2H]S(C)=[W].[CH3-].[Y] |
| InChI | InChI=1S/C28H31FN2O5.C28H29FN2O5.C22H18FNO5.C21H21FN2O4.C6H15NO.CH4S.CH3.H3O3PS.W.Y/c2*29-22-13-10-20(11-14-22)12-15-24(33)23-18-31-25(28(35)30-16-6-1-2-7-17-32)27(26(23)34)36-19-21-8-4-3-5-9-21;23-16-9-6-14(7-10-16)8-11-18(25)17-12-24-19(22(27)28)21(20(17)26)29-13-15-4-2-1-3-5-15;22-14-8-5-13(6-9-14)7-10-16(25)15-12-24-17-4-2-1-3-11-23(17)21(28)18(24)20(27)19(15)26;7-5-3-1-2-4-6-8;1-2;;1-2-3-5-4;;/h3-5,8-11,13-14,18,32H,1-2,6-7,12,15-17,19H2,(H,30,35)(H,31,34);3-5,8-11,13-14,17-18H,1-2,6-7,12,15-16,19H2,(H,30,35)(H,31,34);1-7,9-10,12H,8,11,13H2,(H,24,26)(H,27,28);5-6,8-9,12,17,27H,1-4,7,10-11H2;8H,1-7H2;2H,1H3;1H3;1H,4H2;;/q;;;;;;-1;;;/i/hD |
| InChIKey | QTMGICHMLIFMMJ-DYCDLGHISA-N |
| XLogP | 17.57 |
| TPSA | 474.83 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 147 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2335.05 |
| LogP ≤ 5 | 17.57 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'} |
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