bis(carbon dioxide);3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;4-[8-[[1-(2,4-dimethylphenyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid

C185H191ClF10N18O32 — CID 158485111

IUPACbis(carbon dioxide);3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;4-[8-[[1-(2,4-dimethylphenyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
SMILESCCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)c(F)c2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.CCOc1cc(CN2CCC3(CC2)CN(c2cccc(OC)c2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2Cl)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.COc1ccc(-c2nn(C3CC3)cc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1.Cc1ccc(-n2cc(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)c(-c3ccc(F)c(F)c3F)n2)c(C)c1.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4cccc(C(F)(F)F)c4)CC3)OC2=O)cc1.O=C=O.O=C=O
InChIInChI=1S/C32H29F3N4O4.C31H33F3N4O4.C31H32F2N2O6.C31H35FN2O5.C30H32ClFN2O4.C28H30N4O5.2CO2/c1-19-3-10-26(20(2)15-19)39-17-22(29(36-39)24-8-9-25(33)28(35)27(24)34)16-37-13-11-32(12-14-37)18-38(31(42)43-32)23-6-4-21(5-7-23)30(40)41;32-31(33,34)24-6-4-5-22(17-24)27-23(19-38(35-27)26-7-2-1-3-8-26)18-36-15-13-30(14-16-36)20-37(29(41)42-30)25-11-9-21(10-12-25)28(39)40;1-3-39-26-15-20(16-27(40-4-2)28(26)21-5-7-22(32)8-6-21)18-34-13-11-31(12-14-34)19-35(30(38)41-31)23-9-10-24(29(36)37)25(33)17-23;1-4-37-27-17-22(18-28(38-5-2)29(27)23-9-11-24(32)12-10-23)20-33-15-13-31(14-16-33)21-34(30(35)39-31)25-7-6-8-26(19-25)36-3;1-3-36-26-17-21(18-27(37-4-2)28(26)22-9-11-23(32)12-10-22)19-33-15-13-30(14-16-33)20-34(29(35)38-30)25-8-6-5-7-24(25)31;1-36-24-10-4-19(5-11-24)25-21(17-32(29-25)23-8-9-23)16-30-14-12-28(13-15-30)18-31(27(35)37-28)22-6-2-20(3-7-22)26(33)34;2*2-1-3/h3-10,15,17H,11-14,16,18H2,1-2H3,(H,40,41);4-6,9-12,17,19,26H,1-3,7-8,13-16,18,20H2,(H,39,40);5-10,15-17H,3-4,11-14,18-19H2,1-2H3,(H,36,37);6-12,17-19H,4-5,13-16,20-21H2,1-3H3;5-12,17-18H,3-4,13-16,19-20H2,1-2H3;2-7,10-11,17,23H,8-9,12-16,18H2,1H3,(H,33,34);;
InChIKeyHHZQYWZRNFKTJS-UHFFFAOYSA-N
MW3404.09 g/mol
LogP35.79
Rot. Bonds45

About bis(carbon dioxide);3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;4-[8-[[1-(2,4-dimethylphenyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid

bis(carbon dioxide);3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;4-[8-[[1-(2,4-dimethylphenyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid (PubChem CID 158485111) has the molecular formula C185H191ClF10N18O32 and a molecular weight of 3404.09 g/mol. Its IUPAC name is bis(carbon dioxide);3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;4-[8-[[1-(2,4-dimethylphenyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid.

Molecular Properties

Compound Namebis(carbon dioxide);3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;4-[8-[[1-(2,4-dimethylphenyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
PubChem CID158485111
Molecular FormulaC185H191ClF10N18O32
Molecular Weight3404.09 g/mol
Exact Mass3401.34
IUPAC Namebis(carbon dioxide);3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;4-[8-[[1-(2,4-dimethylphenyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
SMILESCCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)c(F)c2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.CCOc1cc(CN2CCC3(CC2)CN(c2cccc(OC)c2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2Cl)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.COc1ccc(-c2nn(C3CC3)cc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1.Cc1ccc(-n2cc(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)c(-c3ccc(F)c(F)c3F)n2)c(C)c1.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4cccc(C(F)(F)F)c4)CC3)OC2=O)cc1.O=C=O.O=C=O
InChIInChI=1S/C32H29F3N4O4.C31H33F3N4O4.C31H32F2N2O6.C31H35FN2O5.C30H32ClFN2O4.C28H30N4O5.2CO2/c1-19-3-10-26(20(2)15-19)39-17-22(29(36-39)24-8-9-25(33)28(35)27(24)34)16-37-13-11-32(12-14-37)18-38(31(42)43-32)23-6-4-21(5-7-23)30(40)41;32-31(33,34)24-6-4-5-22(17-24)27-23(19-38(35-27)26-7-2-1-3-8-26)18-36-15-13-30(14-16-36)20-37(29(41)42-30)25-11-9-21(10-12-25)28(39)40;1-3-39-26-15-20(16-27(40-4-2)28(26)21-5-7-22(32)8-6-21)18-34-13-11-31(12-14-34)19-35(30(38)41-31)23-9-10-24(29(36)37)25(33)17-23;1-4-37-27-17-22(18-28(38-5-2)29(27)23-9-11-24(32)12-10-23)20-33-15-13-31(14-16-33)21-34(30(35)39-31)25-7-6-8-26(19-25)36-3;1-3-36-26-17-21(18-27(37-4-2)28(26)22-9-11-23(32)12-10-22)19-33-15-13-30(14-16-33)20-34(29(35)38-30)25-8-6-5-7-24(25)31;1-36-24-10-4-19(5-11-24)25-21(17-32(29-25)23-8-9-23)16-30-14-12-28(13-15-30)18-31(27(35)37-28)22-6-2-20(3-7-22)26(33)34;2*2-1-3/h3-10,15,17H,11-14,16,18H2,1-2H3,(H,40,41);4-6,9-12,17,19,26H,1-3,7-8,13-16,18,20H2,(H,39,40);5-10,15-17H,3-4,11-14,18-19H2,1-2H3,(H,36,37);6-12,17-19H,4-5,13-16,20-21H2,1-3H3;5-12,17-18H,3-4,13-16,19-20H2,1-2H3;2-7,10-11,17,23H,8-9,12-16,18H2,1H3,(H,33,34);;
InChIKeyHHZQYWZRNFKTJS-UHFFFAOYSA-N
XLogP35.79
TPSA541.46 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds45
Heavy Atoms246
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003404.09
LogP ≤ 535.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze bis(carbon dioxide);3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;4-[8-[[1-(2,4-dimethylphenyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;4-[8-[[1-(2,4-dimethylphenyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?
The IUPAC name of bis(carbon dioxide);3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;4-[8-[[1-(2,4-dimethylphenyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid (CID 158485111) is bis(carbon dioxide);3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;4-[8-[[1-(2,4-dimethylphenyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid.
What is the SMILES notation for bis(carbon dioxide);3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;4-[8-[[1-(2,4-dimethylphenyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?
The canonical SMILES for bis(carbon dioxide);3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;4-[8-[[1-(2,4-dimethylphenyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid is CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)c(F)c2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.CCOc1cc(CN2CCC3(CC2)CN(c2cccc(OC)c2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2Cl)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.COc1ccc(-c2nn(C3CC3)cc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1.Cc1ccc(-n2cc(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)c(-c3ccc(F)c(F)c3F)n2)c(C)c1.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4cccc(C(F)(F)F)c4)CC3)OC2=O)cc1.O=C=O.O=C=O.
What is the InChIKey of bis(carbon dioxide);3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;4-[8-[[1-(2,4-dimethylphenyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?
The InChIKey is HHZQYWZRNFKTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F3N4O4.C31H33F3N4O4.C31H32F2N2O6.C31H35FN2O5.C30H32ClFN2O4.C28H30N4O5.2CO2/c1-19-3-10-26(20(2)15-19)39-17-22(29(36-39)24-8-9-25(33)28(35)27(24)34)16-37-13-11-32(12-14-37)18-38(31(42)43-32)23-6-4-21(5-7-23)30(40)41;32-31(33,34)24-6-4-5-22(17-24)27-23(19-38(35-27)26-7-2-1-3-8-26)18-36-15-13-30(14-16-36)20-37(29(41)42-30)25-11-9-21(10-12-25)28(39)40;1-3-39-26-15-20(16-27(40-4-2)28(26)21-5-7-22(32)8-6-21)18-34-13-11-31(12-14-34)19-35(30(38)41-31)23-9-10-24(29(36)37)25(33)17-23;1-4-37-27-17-22(18-28(38-5-2)29(27)23-9-11-24(32)12-10-23)20-33-15-13-31(14-16-33)21-34(30(35)39-31)25-7-6-8-26(19-25)36-3;1-3-36-26-17-21(18-27(37-4-2)28(26)22-9-11-23(32)12-10-22)19-33-15-13-30(14-16-33)20-34(29(35)38-30)25-8-6-5-7-24(25)31;1-36-24-10-4-19(5-11-24)25-21(17-32(29-25)23-8-9-23)16-30-14-12-28(13-15-30)18-31(27(35)37-28)22-6-2-20(3-7-22)26(33)34;2*2-1-3/h3-10,15,17H,11-14,16,18H2,1-2H3,(H,40,41);4-6,9-12,17,19,26H,1-3,7-8,13-16,18,20H2,(H,39,40);5-10,15-17H,3-4,11-14,18-19H2,1-2H3,(H,36,37);6-12,17-19H,4-5,13-16,20-21H2,1-3H3;5-12,17-18H,3-4,13-16,19-20H2,1-2H3;2-7,10-11,17,23H,8-9,12-16,18H2,1H3,(H,33,34);;.
What are the key properties of bis(carbon dioxide);3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;4-[8-[[1-(2,4-dimethylphenyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?
bis(carbon dioxide);3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;4-[8-[[1-(2,4-dimethylphenyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid has a molecular weight of 3404.09 g/mol, XLogP of 35.79, 45 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;4-[8-[[1-(2,4-dimethylphenyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid is sourced from PubChem (CID 158485111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).