C107H124N10O26S — CID 158343677
1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[3-(2-hydroxyethyl)pyrazine-2-carbonyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)pyridine-3-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3R)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]phenyl]ethanone (PubChem CID 158343677) has the molecular formula C107H124N10O26S and a molecular weight of 1998.28 g/mol. Its IUPAC name is 1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[3-(2-hydroxyethyl)pyrazine-2-carbonyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)pyridine-3-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3R)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]phenyl]ethanone.
| Compound Name | 1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[3-(2-hydroxyethyl)pyrazine-2-carbonyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)pyridine-3-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3R)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]phenyl]ethanone |
|---|---|
| PubChem CID | 158343677 |
| Molecular Formula | C107H124N10O26S |
| Molecular Weight | 1998.28 g/mol |
| Exact Mass | 1996.84 |
| IUPAC Name | 1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[3-(2-hydroxyethyl)pyrazine-2-carbonyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)pyridine-3-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3R)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]phenyl]ethanone |
| SMILES | CC(=O)c1c(O)cccc1OC[C@@H]1CCCCN1C(=O)c1ccccc1CCO.CC(=O)c1c(O)cccc1OC[C@@H]1CCCCN1C(=O)c1nccnc1CCO.CC(=O)c1c(O)cccc1OC[C@@H]1CCCN1C(=O)c1cccnc1CCO.CC(=O)c1c(O)cccc1OC[C@@H]1COCCN1C(=O)c1cccnc1CCO.CC(=O)c1c(O)cccc1OC[C@@H]1CSCCN1C(=O)c1cccnc1CCO |
| InChI | InChI=1S/C23H27NO5.C21H25N3O5.C21H24N2O6.C21H24N2O5S.C21H24N2O5/c1-16(26)22-20(27)10-6-11-21(22)29-15-18-8-4-5-13-24(18)23(28)19-9-3-2-7-17(19)12-14-25;1-14(26)19-17(27)6-4-7-18(19)29-13-15-5-2-3-11-24(15)21(28)20-16(8-12-25)22-9-10-23-20;1-14(25)20-18(26)5-2-6-19(20)29-13-15-12-28-11-9-23(15)21(27)16-4-3-8-22-17(16)7-10-24;1-14(25)20-18(26)5-2-6-19(20)28-12-15-13-29-11-9-23(15)21(27)16-4-3-8-22-17(16)7-10-24;1-14(25)20-18(26)7-2-8-19(20)28-13-15-5-4-11-23(15)21(27)16-6-3-10-22-17(16)9-12-24/h2-3,6-7,9-11,18,25,27H,4-5,8,12-15H2,1H3;4,6-7,9-10,15,25,27H,2-3,5,8,11-13H2,1H3;2*2-6,8,15,24,26H,7,9-13H2,1H3;2-3,6-8,10,15,24,26H,4-5,9,11-13H2,1H3/t18-;4*15-/m00010/s1 |
| InChIKey | GRLSGWGJTVQSRC-KXGNPUBNSA-N |
| XLogP | 11.01 |
| TPSA | 509.03 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 144 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1998.28 |
| LogP ≤ 5 | 11.01 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 32 |