5-[4-[[(1R)-4-(2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;1,1-dioxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]thiazinan-3-one;5-[4-[[(1R)-4-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;methane

C176H193F3N8O32S6 — CID 162248591

IUPAC5-[4-[[(1R)-4-(2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;1,1-dioxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]thiazinan-3-one;5-[4-[[(1R)-4-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;methane
SMILESC.CCOCCOc1cc(C)c(-c2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)C3)cc2)c(C)c1.Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)C2)cc1.Cc1cc(OCCC(C)(C)O)nc(C)c1-c1cccc(COc2ccc(C3CC(=O)NS(=O)(=O)C3)cc2)c1.Cc1cccc(C)c1-c1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)C2)cc1.Cc1nc(OCCC(C)(C)O)ccc1-c1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)C2)cc1.O=C1CC(c2ccc(O[C@@H]3CCc4c(-c5ccccc5C(F)(F)F)cccc43)cc2)CS(=O)(=O)N1
InChIInChI=1S/C32H37NO6S.C31H35NO6S.C30H34N2O6S.C29H34N2O6S.C27H27NO4S.C26H22F3NO4S.CH4/c1-20-16-25(38-15-14-32(3,4)35)17-21(2)31(20)28-7-5-6-27-26(28)12-13-29(27)39-24-10-8-22(9-11-24)23-18-30(34)33-40(36,37)19-23;1-4-36-14-15-37-25-16-20(2)31(21(3)17-25)28-7-5-6-27-26(28)12-13-29(27)38-24-10-8-22(9-11-24)23-18-30(33)32-39(34,35)19-23;1-19-23(12-14-29(31-19)37-16-15-30(2,3)34)24-5-4-6-26-25(24)11-13-27(26)38-22-9-7-20(8-10-22)21-17-28(33)32-39(35,36)18-21;1-19-14-27(36-13-12-29(3,4)33)30-20(2)28(19)23-7-5-6-21(15-23)17-37-25-10-8-22(9-11-25)24-16-26(32)31-38(34,35)18-24;1-17-5-3-6-18(2)27(17)24-8-4-7-23-22(24)13-14-25(23)32-21-11-9-19(10-12-21)20-15-26(29)28-33(30,31)16-20;27-26(28,29)23-7-2-1-4-21(23)19-5-3-6-22-20(19)12-13-24(22)34-18-10-8-16(9-11-18)17-14-25(31)30-35(32,33)15-17;/h5-11,16-17,23,29,35H,12-15,18-19H2,1-4H3,(H,33,34);5-11,16-17,23,29H,4,12-15,18-19H2,1-3H3,(H,32,33);4-10,12,14,21,27,34H,11,13,15-18H2,1-3H3,(H,32,33);5-11,14-15,24,33H,12-13,16-18H2,1-4H3,(H,31,32);3-12,20,25H,13-16H2,1-2H3,(H,28,29);1-11,17,24H,12-15H2,(H,30,31);1H4/t2*23?,29-;21?,27-;;20?,25-;17?,24-;/m111.11./s1
InChIKeyZXRHGYUPMNWNCF-UERAYUCOSA-N
MW3181.90 g/mol
LogP30.89
Rot. Bonds42

About 5-[4-[[(1R)-4-(2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;1,1-dioxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]thiazinan-3-one;5-[4-[[(1R)-4-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;methane

5-[4-[[(1R)-4-(2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;1,1-dioxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]thiazinan-3-one;5-[4-[[(1R)-4-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;methane (PubChem CID 162248591) has the molecular formula C176H193F3N8O32S6 and a molecular weight of 3181.90 g/mol. Its IUPAC name is 5-[4-[[(1R)-4-(2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;1,1-dioxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]thiazinan-3-one;5-[4-[[(1R)-4-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;methane.

Molecular Properties

Compound Name5-[4-[[(1R)-4-(2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;1,1-dioxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]thiazinan-3-one;5-[4-[[(1R)-4-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;methane
PubChem CID162248591
Molecular FormulaC176H193F3N8O32S6
Molecular Weight3181.90 g/mol
Exact Mass3179.20
IUPAC Name5-[4-[[(1R)-4-(2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;1,1-dioxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]thiazinan-3-one;5-[4-[[(1R)-4-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;methane
SMILESC.CCOCCOc1cc(C)c(-c2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)C3)cc2)c(C)c1.Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)C2)cc1.Cc1cc(OCCC(C)(C)O)nc(C)c1-c1cccc(COc2ccc(C3CC(=O)NS(=O)(=O)C3)cc2)c1.Cc1cccc(C)c1-c1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)C2)cc1.Cc1nc(OCCC(C)(C)O)ccc1-c1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)C2)cc1.O=C1CC(c2ccc(O[C@@H]3CCc4c(-c5ccccc5C(F)(F)F)cccc43)cc2)CS(=O)(=O)N1
InChIInChI=1S/C32H37NO6S.C31H35NO6S.C30H34N2O6S.C29H34N2O6S.C27H27NO4S.C26H22F3NO4S.CH4/c1-20-16-25(38-15-14-32(3,4)35)17-21(2)31(20)28-7-5-6-27-26(28)12-13-29(27)39-24-10-8-22(9-11-24)23-18-30(34)33-40(36,37)19-23;1-4-36-14-15-37-25-16-20(2)31(21(3)17-25)28-7-5-6-27-26(28)12-13-29(27)38-24-10-8-22(9-11-24)23-18-30(33)32-39(34,35)19-23;1-19-23(12-14-29(31-19)37-16-15-30(2,3)34)24-5-4-6-26-25(24)11-13-27(26)38-22-9-7-20(8-10-22)21-17-28(33)32-39(35,36)18-21;1-19-14-27(36-13-12-29(3,4)33)30-20(2)28(19)23-7-5-6-21(15-23)17-37-25-10-8-22(9-11-25)24-16-26(32)31-38(34,35)18-24;1-17-5-3-6-18(2)27(17)24-8-4-7-23-22(24)13-14-25(23)32-21-11-9-19(10-12-21)20-15-26(29)28-33(30,31)16-20;27-26(28,29)23-7-2-1-4-21(23)19-5-3-6-22-20(19)12-13-24(22)34-18-10-8-16(9-11-18)17-14-25(31)30-35(32,33)15-17;/h5-11,16-17,23,29,35H,12-15,18-19H2,1-4H3,(H,33,34);5-11,16-17,23,29H,4,12-15,18-19H2,1-3H3,(H,32,33);4-10,12,14,21,27,34H,11,13,15-18H2,1-3H3,(H,32,33);5-11,14-15,24,33H,12-13,16-18H2,1-4H3,(H,31,32);3-12,20,25H,13-16H2,1-2H3,(H,28,29);1-11,17,24H,12-15H2,(H,30,31);1H4/t2*23?,29-;21?,27-;;20?,25-;17?,24-;/m111.11./s1
InChIKeyZXRHGYUPMNWNCF-UERAYUCOSA-N
XLogP30.89
TPSA567.44 Ų
H-Bond Donors9
H-Bond Acceptors34
Rotatable Bonds42
Heavy Atoms225
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003181.90
LogP ≤ 530.89
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[4-[[(1R)-4-(2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;1,1-dioxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]thiazinan-3-one;5-[4-[[(1R)-4-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;methane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(1R)-4-(2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;1,1-dioxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]thiazinan-3-one;5-[4-[[(1R)-4-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;methane?
The IUPAC name of 5-[4-[[(1R)-4-(2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;1,1-dioxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]thiazinan-3-one;5-[4-[[(1R)-4-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;methane (CID 162248591) is 5-[4-[[(1R)-4-(2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;1,1-dioxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]thiazinan-3-one;5-[4-[[(1R)-4-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;methane.
What is the SMILES notation for 5-[4-[[(1R)-4-(2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;1,1-dioxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]thiazinan-3-one;5-[4-[[(1R)-4-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;methane?
The canonical SMILES for 5-[4-[[(1R)-4-(2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;1,1-dioxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]thiazinan-3-one;5-[4-[[(1R)-4-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;methane is C.CCOCCOc1cc(C)c(-c2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)C3)cc2)c(C)c1.Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)C2)cc1.Cc1cc(OCCC(C)(C)O)nc(C)c1-c1cccc(COc2ccc(C3CC(=O)NS(=O)(=O)C3)cc2)c1.Cc1cccc(C)c1-c1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)C2)cc1.Cc1nc(OCCC(C)(C)O)ccc1-c1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)C2)cc1.O=C1CC(c2ccc(O[C@@H]3CCc4c(-c5ccccc5C(F)(F)F)cccc43)cc2)CS(=O)(=O)N1.
What is the InChIKey of 5-[4-[[(1R)-4-(2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;1,1-dioxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]thiazinan-3-one;5-[4-[[(1R)-4-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;methane?
The InChIKey is ZXRHGYUPMNWNCF-UERAYUCOSA-N. The full InChI is InChI=1S/C32H37NO6S.C31H35NO6S.C30H34N2O6S.C29H34N2O6S.C27H27NO4S.C26H22F3NO4S.CH4/c1-20-16-25(38-15-14-32(3,4)35)17-21(2)31(20)28-7-5-6-27-26(28)12-13-29(27)39-24-10-8-22(9-11-24)23-18-30(34)33-40(36,37)19-23;1-4-36-14-15-37-25-16-20(2)31(21(3)17-25)28-7-5-6-27-26(28)12-13-29(27)38-24-10-8-22(9-11-24)23-18-30(33)32-39(34,35)19-23;1-19-23(12-14-29(31-19)37-16-15-30(2,3)34)24-5-4-6-26-25(24)11-13-27(26)38-22-9-7-20(8-10-22)21-17-28(33)32-39(35,36)18-21;1-19-14-27(36-13-12-29(3,4)33)30-20(2)28(19)23-7-5-6-21(15-23)17-37-25-10-8-22(9-11-25)24-16-26(32)31-38(34,35)18-24;1-17-5-3-6-18(2)27(17)24-8-4-7-23-22(24)13-14-25(23)32-21-11-9-19(10-12-21)20-15-26(29)28-33(30,31)16-20;27-26(28,29)23-7-2-1-4-21(23)19-5-3-6-22-20(19)12-13-24(22)34-18-10-8-16(9-11-18)17-14-25(31)30-35(32,33)15-17;/h5-11,16-17,23,29,35H,12-15,18-19H2,1-4H3,(H,33,34);5-11,16-17,23,29H,4,12-15,18-19H2,1-3H3,(H,32,33);4-10,12,14,21,27,34H,11,13,15-18H2,1-3H3,(H,32,33);5-11,14-15,24,33H,12-13,16-18H2,1-4H3,(H,31,32);3-12,20,25H,13-16H2,1-2H3,(H,28,29);1-11,17,24H,12-15H2,(H,30,31);1H4/t2*23?,29-;21?,27-;;20?,25-;17?,24-;/m111.11./s1.
What are the key properties of 5-[4-[[(1R)-4-(2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;1,1-dioxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]thiazinan-3-one;5-[4-[[(1R)-4-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;methane?
5-[4-[[(1R)-4-(2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;1,1-dioxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]thiazinan-3-one;5-[4-[[(1R)-4-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;methane has a molecular weight of 3181.90 g/mol, XLogP of 30.89, 42 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(1R)-4-(2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;1,1-dioxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]thiazinan-3-one;5-[4-[[(1R)-4-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;methane is sourced from PubChem (CID 162248591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).