1-[4-(2,5-dihydropyrrol-1-yl)-2-methylphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3-methylbutanoyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-methyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one
C159H234F9NO25S8 — CID 161252457
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-[4-(2,5-dihydropyrrol-1-yl)-2-methylphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3-methylbutanoyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-methyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one
SMILESCC(C)CC(=O)c1ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)cc1.CC1Cc2cc(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc2C1C.Cc1c(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc(C(F)(F)F)c1C.Cc1c(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc2c1CCC2.Cc1cc(C(F)(F)F)ccc1CC(=O)CCCCCS(=O)(=O)C(C)C.Cc1cc(CC(=O)CCCCCS(=O)(=O)C(C)C)cc2c1C(C)CC2.Cc1cc(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc1C(F)(F)F.Cc1cc(N2CC=CC2)ccc1CC(=O)CCCCCS(=O)(=O)C(C)C
InChIInChI=1S/C21H31NO3S.C21H32O4S.2C21H32O3S.C20H30O3S.C19H27F3O3S.2C18H25F3O3S/c1-17(2)26(24,25)14-8-4-5-9-21(23)16-19-10-11-20(15-18(19)3)22-12-6-7-13-22;1-16(2)14-21(23)19-11-9-18(10-12-19)15-20(22)8-6-5-7-13-26(24,25)17(3)4;1-15(2)25(23,24)11-7-5-6-8-20(22)14-18-9-10-21-17(4)16(3)12-19(21)13-18;1-15(2)25(23,24)11-7-5-6-8-20(22)14-18-12-17(4)21-16(3)9-10-19(21)13-18;1-15(2)24(22,23)13-6-4-5-9-19(21)14-18-12-11-17-8-7-10-20(17)16(18)3;1-13(2)26(24,25)11-7-5-6-8-17(23)12-16-9-10-18(19(20,21)22)15(4)14(16)3;1-13(2)25(23,24)10-6-4-5-7-17(22)12-15-8-9-16(11-14(15)3)18(19,20)21;1-13(2)25(23,24)10-6-4-5-7-16(22)12-15-8-9-17(14(3)11-15)18(19,20)21/h6-7,10-11,15,17H,4-5,8-9,12-14,16H2,1-3H3;9-12,16-17H,5-8,13-15H2,1-4H3;9-10,13,15-17H,5-8,11-12,14H2,1-4H3;12-13,15-16H,5-11,14H2,1-4H3;11-12,15H,4-10,13-14H2,1-3H3;9-10,13H,5-8,11-12H2,1-4H3;2*8-9,11,13H,4-7,10,12H2,1-3H3
InChIKeyVBLHVAOALOOLRQ-UHFFFAOYSA-N
MW2987.12 g/mol
LogP35.11
Rot. Bonds76
About 1-[4-(2,5-dihydropyrrol-1-yl)-2-methylphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3-methylbutanoyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-methyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one
1-[4-(2,5-dihydropyrrol-1-yl)-2-methylphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3-methylbutanoyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-methyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one (PubChem CID 161252457) has the molecular formula C159H234F9NO25S8 and a molecular weight of 2987.12 g/mol. Its IUPAC name is 1-[4-(2,5-dihydropyrrol-1-yl)-2-methylphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3-methylbutanoyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-methyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one.
Molecular Properties
| Compound Name | 1-[4-(2,5-dihydropyrrol-1-yl)-2-methylphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3-methylbutanoyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-methyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one |
|---|---|
| PubChem CID | 161252457 |
| Molecular Formula | C159H234F9NO25S8 |
| Molecular Weight | 2987.12 g/mol |
| Exact Mass | 2984.47 |
| IUPAC Name | 1-[4-(2,5-dihydropyrrol-1-yl)-2-methylphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3-methylbutanoyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-methyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one |
| SMILES | CC(C)CC(=O)c1ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)cc1.CC1Cc2cc(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc2C1C.Cc1c(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc(C(F)(F)F)c1C.Cc1c(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc2c1CCC2.Cc1cc(C(F)(F)F)ccc1CC(=O)CCCCCS(=O)(=O)C(C)C.Cc1cc(CC(=O)CCCCCS(=O)(=O)C(C)C)cc2c1C(C)CC2.Cc1cc(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc1C(F)(F)F.Cc1cc(N2CC=CC2)ccc1CC(=O)CCCCCS(=O)(=O)C(C)C |
| InChI | InChI=1S/C21H31NO3S.C21H32O4S.2C21H32O3S.C20H30O3S.C19H27F3O3S.2C18H25F3O3S/c1-17(2)26(24,25)14-8-4-5-9-21(23)16-19-10-11-20(15-18(19)3)22-12-6-7-13-22;1-16(2)14-21(23)19-11-9-18(10-12-19)15-20(22)8-6-5-7-13-26(24,25)17(3)4;1-15(2)25(23,24)11-7-5-6-8-20(22)14-18-9-10-21-17(4)16(3)12-19(21)13-18;1-15(2)25(23,24)11-7-5-6-8-20(22)14-18-12-17(4)21-16(3)9-10-19(21)13-18;1-15(2)24(22,23)13-6-4-5-9-19(21)14-18-12-11-17-8-7-10-20(17)16(18)3;1-13(2)26(24,25)11-7-5-6-8-17(23)12-16-9-10-18(19(20,21)22)15(4)14(16)3;1-13(2)25(23,24)10-6-4-5-7-17(22)12-15-8-9-16(11-14(15)3)18(19,20)21;1-13(2)25(23,24)10-6-4-5-7-16(22)12-15-8-9-17(14(3)11-15)18(19,20)21/h6-7,10-11,15,17H,4-5,8-9,12-14,16H2,1-3H3;9-12,16-17H,5-8,13-15H2,1-4H3;9-10,13,15-17H,5-8,11-12,14H2,1-4H3;12-13,15-16H,5-11,14H2,1-4H3;11-12,15H,4-10,13-14H2,1-3H3;9-10,13H,5-8,11-12H2,1-4H3;2*8-9,11,13H,4-7,10,12H2,1-3H3 |
| InChIKey | VBLHVAOALOOLRQ-UHFFFAOYSA-N |
| XLogP | 35.11 |
| TPSA | 429.99 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 76 |
| Heavy Atoms | 202 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2987.12 |
| LogP ≤ 5 | 35.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 1-[4-(2,5-dihydropyrrol-1-yl)-2-methylphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3-methylbutanoyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-methyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one?
The IUPAC name of 1-[4-(2,5-dihydropyrrol-1-yl)-2-methylphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3-methylbutanoyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-methyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one (CID 161252457) is 1-[4-(2,5-dihydropyrrol-1-yl)-2-methylphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3-methylbutanoyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-methyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one.
What is the SMILES notation for 1-[4-(2,5-dihydropyrrol-1-yl)-2-methylphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3-methylbutanoyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-methyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one?
The canonical SMILES for 1-[4-(2,5-dihydropyrrol-1-yl)-2-methylphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3-methylbutanoyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-methyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one is CC(C)CC(=O)c1ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)cc1.CC1Cc2cc(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc2C1C.Cc1c(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc(C(F)(F)F)c1C.Cc1c(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc2c1CCC2.Cc1cc(C(F)(F)F)ccc1CC(=O)CCCCCS(=O)(=O)C(C)C.Cc1cc(CC(=O)CCCCCS(=O)(=O)C(C)C)cc2c1C(C)CC2.Cc1cc(CC(=O)CCCCCS(=O)(=O)C(C)C)ccc1C(F)(F)F.Cc1cc(N2CC=CC2)ccc1CC(=O)CCCCCS(=O)(=O)C(C)C.
What is the InChIKey of 1-[4-(2,5-dihydropyrrol-1-yl)-2-methylphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3-methylbutanoyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-methyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one?
The InChIKey is VBLHVAOALOOLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO3S.C21H32O4S.2C21H32O3S.C20H30O3S.C19H27F3O3S.2C18H25F3O3S/c1-17(2)26(24,25)14-8-4-5-9-21(23)16-19-10-11-20(15-18(19)3)22-12-6-7-13-22;1-16(2)14-21(23)19-11-9-18(10-12-19)15-20(22)8-6-5-7-13-26(24,25)17(3)4;1-15(2)25(23,24)11-7-5-6-8-20(22)14-18-9-10-21-17(4)16(3)12-19(21)13-18;1-15(2)25(23,24)11-7-5-6-8-20(22)14-18-12-17(4)21-16(3)9-10-19(21)13-18;1-15(2)24(22,23)13-6-4-5-9-19(21)14-18-12-11-17-8-7-10-20(17)16(18)3;1-13(2)26(24,25)11-7-5-6-8-17(23)12-16-9-10-18(19(20,21)22)15(4)14(16)3;1-13(2)25(23,24)10-6-4-5-7-17(22)12-15-8-9-16(11-14(15)3)18(19,20)21;1-13(2)25(23,24)10-6-4-5-7-16(22)12-15-8-9-17(14(3)11-15)18(19,20)21/h6-7,10-11,15,17H,4-5,8-9,12-14,16H2,1-3H3;9-12,16-17H,5-8,13-15H2,1-4H3;9-10,13,15-17H,5-8,11-12,14H2,1-4H3;12-13,15-16H,5-11,14H2,1-4H3;11-12,15H,4-10,13-14H2,1-3H3;9-10,13H,5-8,11-12H2,1-4H3;2*8-9,11,13H,4-7,10,12H2,1-3H3.
What are the key properties of 1-[4-(2,5-dihydropyrrol-1-yl)-2-methylphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3-methylbutanoyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-methyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one?
1-[4-(2,5-dihydropyrrol-1-yl)-2-methylphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3-methylbutanoyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-methyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one has a molecular weight of 2987.12 g/mol, XLogP of 35.11, 76 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dihydropyrrol-1-yl)-2-methylphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2,3-dimethyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3-methylbutanoyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-methyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;1-[2-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one is sourced from PubChem (CID 161252457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 161252457 — identifiers, structure, computed properties (public domain)
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